4-(pyridin-3-ylmethyl)-N-[(1R)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide

C19H25N5O — CID 124505398

IUPAC4-(pyridin-3-ylmethyl)-N-[(1R)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide
SMILESCC[C@@H](NC(=O)N1CCN(Cc2cccnc2)CC1)c1ccncc1
InChIInChI=1S/C19H25N5O/c1-2-18(17-5-8-20-9-6-17)22-19(25)24-12-10-23(11-13-24)15-16-4-3-7-21-14-16/h3-9,14,18H,2,10-13,15H2,1H3,(H,22,25)/t18-/m1/s1
InChIKeyFNTZTJUDWJDPFY-GOSISDBHSA-N
MW339.44 g/mol
LogP2.46
Rot. Bonds5

About 4-(pyridin-3-ylmethyl)-N-[(1R)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide

4-(pyridin-3-ylmethyl)-N-[(1R)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide (PubChem CID 124505398) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-(pyridin-3-ylmethyl)-N-[(1R)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(pyridin-3-ylmethyl)-N-[(1R)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide
PubChem CID124505398
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name4-(pyridin-3-ylmethyl)-N-[(1R)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide
SMILESCC[C@@H](NC(=O)N1CCN(Cc2cccnc2)CC1)c1ccncc1
InChIInChI=1S/C19H25N5O/c1-2-18(17-5-8-20-9-6-17)22-19(25)24-12-10-23(11-13-24)15-16-4-3-7-21-14-16/h3-9,14,18H,2,10-13,15H2,1H3,(H,22,25)/t18-/m1/s1
InChIKeyFNTZTJUDWJDPFY-GOSISDBHSA-N
XLogP2.46
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47139414
4-(2-phenoxyethyl)-N-[(1S)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide
CID 124608403
N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47238319
N-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149206
(2R)-2-(3-methylphenyl)-2-[[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]amino]acetic acid
CID 126438621
N-(1-methyl-6-oxo-3-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 75462280
N-(4-butylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149102
2-methyl-3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanoic acid
CID 114897633
(4-propan-2-ylphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 110709119
N-(3,4-difluorophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108549
N-(2,3-dimethylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149203
N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 111507374

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-3-ylmethyl)-N-[(1R)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide?
The IUPAC name of 4-(pyridin-3-ylmethyl)-N-[(1R)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide (CID 124505398) is 4-(pyridin-3-ylmethyl)-N-[(1R)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(pyridin-3-ylmethyl)-N-[(1R)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(pyridin-3-ylmethyl)-N-[(1R)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide is CC[C@@H](NC(=O)N1CCN(Cc2cccnc2)CC1)c1ccncc1.
What is the InChIKey of 4-(pyridin-3-ylmethyl)-N-[(1R)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide?
The InChIKey is FNTZTJUDWJDPFY-GOSISDBHSA-N. The full InChI is InChI=1S/C19H25N5O/c1-2-18(17-5-8-20-9-6-17)22-19(25)24-12-10-23(11-13-24)15-16-4-3-7-21-14-16/h3-9,14,18H,2,10-13,15H2,1H3,(H,22,25)/t18-/m1/s1.
What are the key properties of 4-(pyridin-3-ylmethyl)-N-[(1R)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide?
4-(pyridin-3-ylmethyl)-N-[(1R)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-3-ylmethyl)-N-[(1R)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide is sourced from PubChem (CID 124505398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).