N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide

C19H25N5O — CID 95208683

IUPACN-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCCN1CCC[C@H](CN(C)C(=O)c2cnc(-c3ccncc3)nc2)C1
InChIInChI=1S/C19H25N5O/c1-3-24-10-4-5-15(14-24)13-23(2)19(25)17-11-21-18(22-12-17)16-6-8-20-9-7-16/h6-9,11-12,15H,3-5,10,13-14H2,1-2H3/t15-/m1/s1
InChIKeyJMWMDTUCHRNQPK-OAHLLOKOSA-N
MW339.44 g/mol
LogP2.34
Rot. Bonds5

About N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide

N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 95208683) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID95208683
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCCN1CCC[C@H](CN(C)C(=O)c2cnc(-c3ccncc3)nc2)C1
InChIInChI=1S/C19H25N5O/c1-3-24-10-4-5-15(14-24)13-23(2)19(25)17-11-21-18(22-12-17)16-6-8-20-9-7-16/h6-9,11-12,15H,3-5,10,13-14H2,1-2H3/t15-/m1/s1
InChIKeyJMWMDTUCHRNQPK-OAHLLOKOSA-N
XLogP2.34
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-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

1-(difluoromethyl)-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-N,5-dimethylpyrrole-2-carboxamide
CID 125163317
3-(2-amino-6-oxo-1H-pyrimidin-4-yl)-N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methylbenzamide
CID 137151134
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N,6-dimethylpyridine-3-carboxamide
CID 45240100
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-(triazol-1-yl)acetamide
CID 126439698
N-(cyclohexylmethyl)-N,6-dimethylpyridine-3-carboxamide
CID 39975112
N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-N-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176500918
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide
CID 45220091
N,1-dimethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 172881291
5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 63274999
N-[(1-ethylpiperidin-3-yl)methyl]-6-(ethylsulfonylamino)-N,3-dimethyl-2-phenylbenzimidazole-4-carboxamide
CID 118754040
2-amino-N-methyl-N-[[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 166384282
4-(cyclopropylmethoxy)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 136526082

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide (CID 95208683) is N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide is CCN1CCC[C@H](CN(C)C(=O)c2cnc(-c3ccncc3)nc2)C1.
What is the InChIKey of N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is JMWMDTUCHRNQPK-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N5O/c1-3-24-10-4-5-15(14-24)13-23(2)19(25)17-11-21-18(22-12-17)16-6-8-20-9-7-16/h6-9,11-12,15H,3-5,10,13-14H2,1-2H3/t15-/m1/s1.
What are the key properties of N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide?
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 95208683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).