N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide

C23H25N5O — CID 97202083

IUPACN-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESO=C(NC[C@H]1CCCN(Cc2ccccc2)C1)c1cnc(-c2cccnc2)nc1
InChIInChI=1S/C23H25N5O/c29-23(21-14-25-22(26-15-21)20-9-4-10-24-13-20)27-12-19-8-5-11-28(17-19)16-18-6-2-1-3-7-18/h1-4,6-7,9-10,13-15,19H,5,8,11-12,16-17H2,(H,27,29)/t19-/m1/s1
InChIKeyAYWCGSXRTILTAB-LJQANCHMSA-N
MW387.49 g/mol
LogP3.18
Rot. Bonds6

About N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide

N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide (PubChem CID 97202083) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
PubChem CID97202083
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESO=C(NC[C@H]1CCCN(Cc2ccccc2)C1)c1cnc(-c2cccnc2)nc1
InChIInChI=1S/C23H25N5O/c29-23(21-14-25-22(26-15-21)20-9-4-10-24-13-20)27-12-19-8-5-11-28(17-19)16-18-6-2-1-3-7-18/h1-4,6-7,9-10,13-15,19H,5,8,11-12,16-17H2,(H,27,29)/t19-/m1/s1
InChIKeyAYWCGSXRTILTAB-LJQANCHMSA-N
XLogP3.18
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 56714461
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
N-[[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide
CID 45243187
4-phenyl-N-[[(3R)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 97282396
3-amino-N-[(1-benzylpiperidin-3-yl)methyl]pyrazine-2-carboxamide
CID 71936440
4-phenyl-N-[[1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 72916739
2,6-dimethyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 97227448
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
trans-(1R,2R)-2-phenyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 97212321
N-[[(3R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
CID 97278122
4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 25289047
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 97314958

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide (CID 97202083) is N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide is O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)c1cnc(-c2cccnc2)nc1.
What is the InChIKey of N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide?
The InChIKey is AYWCGSXRTILTAB-LJQANCHMSA-N. The full InChI is InChI=1S/C23H25N5O/c29-23(21-14-25-22(26-15-21)20-9-4-10-24-13-20)27-12-19-8-5-11-28(17-19)16-18-6-2-1-3-7-18/h1-4,6-7,9-10,13-15,19H,5,8,11-12,16-17H2,(H,27,29)/t19-/m1/s1.
What are the key properties of N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide?
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 97202083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).