N-[5-cyano-4-(2-methylsulfanylethylamino)-2-pyridinyl]-7-methyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C24H29N7O2S — CID 172755205

IUPACN-[5-cyano-4-(2-methylsulfanylethylamino)-2-pyridinyl]-7-methyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCSCCNc1cc(NC(=O)N2CCCc3cc(CN4CCCC4=O)c(C)nc32)ncc1C#N
InChIInChI=1S/C24H29N7O2S/c1-16-18(15-30-8-4-6-22(30)32)11-17-5-3-9-31(23(17)28-16)24(33)29-21-12-20(26-7-10-34-2)19(13-25)14-27-21/h11-12,14H,3-10,15H2,1-2H3,(H2,26,27,29,33)
InChIKeyKXROAYUWOJDSJR-UHFFFAOYSA-N
MW479.61 g/mol
LogP3.54
Rot. Bonds7

About N-[5-cyano-4-(2-methylsulfanylethylamino)-2-pyridinyl]-7-methyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-(2-methylsulfanylethylamino)-2-pyridinyl]-7-methyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 172755205) has the molecular formula C24H29N7O2S and a molecular weight of 479.61 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methylsulfanylethylamino)-2-pyridinyl]-7-methyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-(2-methylsulfanylethylamino)-2-pyridinyl]-7-methyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID172755205
Molecular FormulaC24H29N7O2S
Molecular Weight479.61 g/mol
Exact Mass479.21
IUPAC NameN-[5-cyano-4-(2-methylsulfanylethylamino)-2-pyridinyl]-7-methyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCSCCNc1cc(NC(=O)N2CCCc3cc(CN4CCCC4=O)c(C)nc32)ncc1C#N
InChIInChI=1S/C24H29N7O2S/c1-16-18(15-30-8-4-6-22(30)32)11-17-5-3-9-31(23(17)28-16)24(33)29-21-12-20(26-7-10-34-2)19(13-25)14-27-21/h11-12,14H,3-10,15H2,1-2H3,(H2,26,27,29,33)
InChIKeyKXROAYUWOJDSJR-UHFFFAOYSA-N
XLogP3.54
TPSA114.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.61
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[5-cyano-4-(2-methylsulfanylethylamino)-2-pyridinyl]-7-methyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(2-methylsulfanylethylamino)-2-pyridinyl]-7-methyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-cyano-4-(2-methylsulfanylethylamino)-2-pyridinyl]-7-methyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 172755205) is N-[5-cyano-4-(2-methylsulfanylethylamino)-2-pyridinyl]-7-methyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[5-cyano-4-(2-methylsulfanylethylamino)-2-pyridinyl]-7-methyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-cyano-4-(2-methylsulfanylethylamino)-2-pyridinyl]-7-methyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CSCCNc1cc(NC(=O)N2CCCc3cc(CN4CCCC4=O)c(C)nc32)ncc1C#N.
What is the InChIKey of N-[5-cyano-4-(2-methylsulfanylethylamino)-2-pyridinyl]-7-methyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is KXROAYUWOJDSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2S/c1-16-18(15-30-8-4-6-22(30)32)11-17-5-3-9-31(23(17)28-16)24(33)29-21-12-20(26-7-10-34-2)19(13-25)14-27-21/h11-12,14H,3-10,15H2,1-2H3,(H2,26,27,29,33).
What are the key properties of N-[5-cyano-4-(2-methylsulfanylethylamino)-2-pyridinyl]-7-methyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-(2-methylsulfanylethylamino)-2-pyridinyl]-7-methyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 479.61 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-4-(2-methylsulfanylethylamino)-2-pyridinyl]-7-methyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 172755205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).