2-ethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide

C19H25N5O — CID 56714461

IUPAC2-ethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)NCC2CCCN(Cc3cccnc3)C2)cn1
InChIInChI=1S/C19H25N5O/c1-2-18-21-11-17(12-22-18)19(25)23-10-16-6-4-8-24(14-16)13-15-5-3-7-20-9-15/h3,5,7,9,11-12,16H,2,4,6,8,10,13-14H2,1H3,(H,23,25)
InChIKeyRREDOWGHGRIJAF-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.08
Rot. Bonds6

About 2-ethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide

2-ethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide (PubChem CID 56714461) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-ethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide
PubChem CID56714461
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-ethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)NCC2CCCN(Cc3cccnc3)C2)cn1
InChIInChI=1S/C19H25N5O/c1-2-18-21-11-17(12-22-18)19(25)23-10-16-6-4-8-24(14-16)13-15-5-3-7-20-9-15/h3,5,7,9,11-12,16H,2,4,6,8,10,13-14H2,1H3,(H,23,25)
InChIKeyRREDOWGHGRIJAF-UHFFFAOYSA-N
XLogP2.08
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 97202083
2,6-dimethyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 97227448
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-1H-indole-7-carboxamide
CID 96563164
(2R)-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide
CID 97215175
trans-(1R,2R)-2-phenyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 97212321
N-[[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide
CID 95211495
3-methyl-N-[2-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]ethyl]pyridine-4-carboxamide
CID 95229690
N-[[(3R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
CID 97278122
2-ethyl-N-[[1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 56747349
4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 25289047
3-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895892

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-ethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide (CID 56714461) is 2-ethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide is CCc1ncc(C(=O)NCC2CCCN(Cc3cccnc3)C2)cn1.
What is the InChIKey of 2-ethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide?
The InChIKey is RREDOWGHGRIJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-2-18-21-11-17(12-22-18)19(25)23-10-16-6-4-8-24(14-16)13-15-5-3-7-20-9-15/h3,5,7,9,11-12,16H,2,4,6,8,10,13-14H2,1H3,(H,23,25).
What are the key properties of 2-ethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide?
2-ethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 56714461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).