5-[1-[1-acetyl-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridine-5-carboximidoyl]-3,4-dihydro-2H-quinolin-6-yl]-N-methyl-1,2-dihydropyridine-2-carboxamide

C28H36N6O3 — CID 139398296

IUPAC5-[1-[1-acetyl-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridine-5-carboximidoyl]-3,4-dihydro-2H-quinolin-6-yl]-N-methyl-1,2-dihydropyridine-2-carboxamide
SMILES[H]/N=C(\C1=C(NC2CCOC2)CCN(C(C)=O)C1)N1CCCc2cc(C3=CNC(C(=O)NC)C=C3)ccc21
InChIInChI=1S/C28H36N6O3/c1-18(35)33-12-9-24(32-22-10-13-37-17-22)23(16-33)27(29)34-11-3-4-20-14-19(6-8-26(20)34)21-5-7-25(31-15-21)28(36)30-2/h5-8,14-15,22,25,29,31-32H,3-4,9-13,16-17H2,1-2H3,(H,30,36)/b29-27+
InChIKeyXRNZZWQCQOJZIU-ORIPQNMZSA-N
MW504.64 g/mol
LogP1.92
Rot. Bonds5

About 5-[1-[1-acetyl-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridine-5-carboximidoyl]-3,4-dihydro-2H-quinolin-6-yl]-N-methyl-1,2-dihydropyridine-2-carboxamide

5-[1-[1-acetyl-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridine-5-carboximidoyl]-3,4-dihydro-2H-quinolin-6-yl]-N-methyl-1,2-dihydropyridine-2-carboxamide (PubChem CID 139398296) has the molecular formula C28H36N6O3 and a molecular weight of 504.64 g/mol. Its IUPAC name is 5-[1-[1-acetyl-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridine-5-carboximidoyl]-3,4-dihydro-2H-quinolin-6-yl]-N-methyl-1,2-dihydropyridine-2-carboxamide.

Molecular Properties

Compound Name5-[1-[1-acetyl-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridine-5-carboximidoyl]-3,4-dihydro-2H-quinolin-6-yl]-N-methyl-1,2-dihydropyridine-2-carboxamide
PubChem CID139398296
Molecular FormulaC28H36N6O3
Molecular Weight504.64 g/mol
Exact Mass504.28
IUPAC Name5-[1-[1-acetyl-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridine-5-carboximidoyl]-3,4-dihydro-2H-quinolin-6-yl]-N-methyl-1,2-dihydropyridine-2-carboxamide
SMILES[H]/N=C(\C1=C(NC2CCOC2)CCN(C(C)=O)C1)N1CCCc2cc(C3=CNC(C(=O)NC)C=C3)ccc21
InChIInChI=1S/C28H36N6O3/c1-18(35)33-12-9-24(32-22-10-13-37-17-22)23(16-33)27(29)34-11-3-4-20-14-19(6-8-26(20)34)21-5-7-25(31-15-21)28(36)30-2/h5-8,14-15,22,25,29,31-32H,3-4,9-13,16-17H2,1-2H3,(H,30,36)/b29-27+
InChIKeyXRNZZWQCQOJZIU-ORIPQNMZSA-N
XLogP1.92
TPSA109.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.64
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 5-[1-[1-acetyl-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridine-5-carboximidoyl]-3,4-dihydro-2H-quinolin-6-yl]-N-methyl-1,2-dihydropyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)ethyl]-9-[1-(4-methylanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
CID 118709718
N1-(2-(1-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)ethyl)-N2-(2-morpholinoethyl)oxalamide
CID 16837519
N1-(2-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl)-N2-((tetrahydrofuran-2-yl)methyl)oxalamide
CID 44025184
5-[3-(2,2-difluoroethyl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridine-1-carbaldehyde
CID 139398468
1-[5-[(3S)-3-(2,2-difluoroethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-4-[[(3S)-oxolan-3-yl]amino]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 139398716
1-[5-(7-fluoro-3,4-dihydro-2H-quinoline-1-carboximidoyl)-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 145105815
1-[5-(7-fluoro-3,4-dihydro-2H-quinoline-1-carboximidoyl)-4-(oxan-4-ylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 177975357
N1-cyclopentyl-N2-(2-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-morpholinoethyl)oxalamide
CID 18571853
N1-allyl-N2-(2-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-morpholinoethyl)oxalamide
CID 18571857
N-(2-cyclohex-1-en-1-ylethyl)-N'-[2-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-morpholin-4-ylethyl]ethanediamide
CID 18571871
N1-(2-(dimethylamino)-2-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)ethyl)-N2-((tetrahydrofuran-2-yl)methyl)oxalamide
CID 44025062
4-amino-1-methyl-3-(6-morpholin-4-yl-3a,7a-dihydro-1H-benzimidazol-2-yl)quinolin-2-one
CID 60052416

Frequently Asked Questions

What is the IUPAC name of 5-[1-[1-acetyl-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridine-5-carboximidoyl]-3,4-dihydro-2H-quinolin-6-yl]-N-methyl-1,2-dihydropyridine-2-carboxamide?
The IUPAC name of 5-[1-[1-acetyl-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridine-5-carboximidoyl]-3,4-dihydro-2H-quinolin-6-yl]-N-methyl-1,2-dihydropyridine-2-carboxamide (CID 139398296) is 5-[1-[1-acetyl-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridine-5-carboximidoyl]-3,4-dihydro-2H-quinolin-6-yl]-N-methyl-1,2-dihydropyridine-2-carboxamide.
What is the SMILES notation for 5-[1-[1-acetyl-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridine-5-carboximidoyl]-3,4-dihydro-2H-quinolin-6-yl]-N-methyl-1,2-dihydropyridine-2-carboxamide?
The canonical SMILES for 5-[1-[1-acetyl-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridine-5-carboximidoyl]-3,4-dihydro-2H-quinolin-6-yl]-N-methyl-1,2-dihydropyridine-2-carboxamide is [H]/N=C(\C1=C(NC2CCOC2)CCN(C(C)=O)C1)N1CCCc2cc(C3=CNC(C(=O)NC)C=C3)ccc21.
What is the InChIKey of 5-[1-[1-acetyl-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridine-5-carboximidoyl]-3,4-dihydro-2H-quinolin-6-yl]-N-methyl-1,2-dihydropyridine-2-carboxamide?
The InChIKey is XRNZZWQCQOJZIU-ORIPQNMZSA-N. The full InChI is InChI=1S/C28H36N6O3/c1-18(35)33-12-9-24(32-22-10-13-37-17-22)23(16-33)27(29)34-11-3-4-20-14-19(6-8-26(20)34)21-5-7-25(31-15-21)28(36)30-2/h5-8,14-15,22,25,29,31-32H,3-4,9-13,16-17H2,1-2H3,(H,30,36)/b29-27+.
What are the key properties of 5-[1-[1-acetyl-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridine-5-carboximidoyl]-3,4-dihydro-2H-quinolin-6-yl]-N-methyl-1,2-dihydropyridine-2-carboxamide?
5-[1-[1-acetyl-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridine-5-carboximidoyl]-3,4-dihydro-2H-quinolin-6-yl]-N-methyl-1,2-dihydropyridine-2-carboxamide has a molecular weight of 504.64 g/mol, XLogP of 1.92, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[1-acetyl-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridine-5-carboximidoyl]-3,4-dihydro-2H-quinolin-6-yl]-N-methyl-1,2-dihydropyridine-2-carboxamide is sourced from PubChem (CID 139398296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).