N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-3-carboxamide

C18H26N4O3 — CID 118782015

IUPACN-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CCN(CC(=O)NC3CC3)CC2)cn1C
InChIInChI=1S/C18H26N4O3/c1-12-9-16(23)15(10-21(12)2)18(25)20-14-5-7-22(8-6-14)11-17(24)19-13-3-4-13/h9-10,13-14H,3-8,11H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyUXHUZSJAUGTDRP-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.17
Rot. Bonds5

About N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-3-carboxamide

N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-3-carboxamide (PubChem CID 118782015) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-3-carboxamide
PubChem CID118782015
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CCN(CC(=O)NC3CC3)CC2)cn1C
InChIInChI=1S/C18H26N4O3/c1-12-9-16(23)15(10-21(12)2)18(25)20-14-5-7-22(8-6-14)11-17(24)19-13-3-4-13/h9-10,13-14H,3-8,11H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyUXHUZSJAUGTDRP-UHFFFAOYSA-N
XLogP0.17
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-3-carboxamide with MolForge

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Related Compounds

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CID 49820621
6-methyl-4-oxo-1-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 49820780
N-(cyclopropylmethyl)-6-methyl-4-oxo-1-pentylpyridine-3-carboxamide
CID 49820781
N-cyclopropyl-2-ethyl-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-4-oxopyridine-3-carboxamide
CID 42372234
2-methyl-5-(4-methyl-2-propan-2-ylpiperazine-1-carbonyl)-1H-pyridin-4-one
CID 91643778
2-methyl-5-[4-(2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-4-one
CID 99811768
N-[2-(butylamino)-2-oxoethyl]-N,1,6-trimethyl-4-oxo-1,4-dihydropyridine-3-carboxamide
CID 121501886
2-methyl-5-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-4-one
CID 164632208
6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride
CID 120812842
6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide
CID 120812843
N-cyclopropyl-2-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-4-oxopyridine-3-carboxamide
CID 45178377
N-[(4-hydroxy-3,5-dimethylpyridin-2-yl)methyl]-2-(1-isopropyl-3-oxopiperazin-2-yl)acetamide
CID 50964429

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-3-carboxamide?
The IUPAC name of N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-3-carboxamide (CID 118782015) is N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-3-carboxamide?
The canonical SMILES for N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NC2CCN(CC(=O)NC3CC3)CC2)cn1C.
What is the InChIKey of N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-3-carboxamide?
The InChIKey is UXHUZSJAUGTDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-12-9-16(23)15(10-21(12)2)18(25)20-14-5-7-22(8-6-14)11-17(24)19-13-3-4-13/h9-10,13-14H,3-8,11H2,1-2H3,(H,19,24)(H,20,25).
What are the key properties of N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-3-carboxamide?
N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-1,6-dimethyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 118782015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).