N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide

C23H35N5O3 — CID 172663999

IUPACN-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccn(CC2CCCNC2)c(=O)c1C(=O)NC1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C23H35N5O3/c1-16-6-12-28(14-17-3-2-9-24-13-17)23(31)21(16)22(30)26-19-7-10-27(11-8-19)15-20(29)25-18-4-5-18/h6,12,17-19,24H,2-5,7-11,13-15H2,1H3,(H,25,29)(H,26,30)
InChIKeyVLZHOZDPGLAVHW-UHFFFAOYSA-N
MW429.57 g/mol
LogP0.63
Rot. Bonds7

About N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide

N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 172663999) has the molecular formula C23H35N5O3 and a molecular weight of 429.57 g/mol. Its IUPAC name is N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID172663999
Molecular FormulaC23H35N5O3
Molecular Weight429.57 g/mol
Exact Mass429.27
IUPAC NameN-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccn(CC2CCCNC2)c(=O)c1C(=O)NC1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C23H35N5O3/c1-16-6-12-28(14-17-3-2-9-24-13-17)23(31)21(16)22(30)26-19-7-10-27(11-8-19)15-20(29)25-18-4-5-18/h6,12,17-19,24H,2-5,7-11,13-15H2,1H3,(H,25,29)(H,26,30)
InChIKeyVLZHOZDPGLAVHW-UHFFFAOYSA-N
XLogP0.63
TPSA95.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-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

4-methyl-2-oxo-N-[1-(2-phenylethyl)piperidin-4-yl]-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172912500
4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 172659458
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172658238
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172913376
4-methyl-N-(2-methylpyrimidin-5-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172665797
N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172657245
4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide
CID 172673540
ethyl 4-[4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carbonyl]piperazine-1-carboxylate;hydrochloride
CID 172912301
4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172668125
4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 172673090
N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 172912715
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-piperidin-3-ylacetamide
CID 62676308

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide (CID 172663999) is N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide is Cc1ccn(CC2CCCNC2)c(=O)c1C(=O)NC1CCN(CC(=O)NC2CC2)CC1.
What is the InChIKey of N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is VLZHOZDPGLAVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O3/c1-16-6-12-28(14-17-3-2-9-24-13-17)23(31)21(16)22(30)26-19-7-10-27(11-8-19)15-20(29)25-18-4-5-18/h6,12,17-19,24H,2-5,7-11,13-15H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?
N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 429.57 g/mol, XLogP of 0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172663999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).