N-[(1R)-1-phenylethyl]pyridine-4-carboxamide

C14H14N2O — CID 730033

IUPACN-[(1R)-1-phenylethyl]pyridine-4-carboxamide
SMILESC[C@@H](NC(=O)c1ccncc1)c1ccccc1
InChIInChI=1S/C14H14N2O/c1-11(12-5-3-2-4-6-12)16-14(17)13-7-9-15-10-8-13/h2-11H,1H3,(H,16,17)/t11-/m1/s1
InChIKeyPXAJVLWTDLKLRV-LLVKDONJSA-N
MW226.28 g/mol
LogP2.57
Rot. Bonds3

About N-[(1R)-1-phenylethyl]pyridine-4-carboxamide

N-[(1R)-1-phenylethyl]pyridine-4-carboxamide (PubChem CID 730033) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]pyridine-4-carboxamide
PubChem CID730033
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC NameN-[(1R)-1-phenylethyl]pyridine-4-carboxamide
SMILESC[C@@H](NC(=O)c1ccncc1)c1ccccc1
InChIInChI=1S/C14H14N2O/c1-11(12-5-3-2-4-6-12)16-14(17)13-7-9-15-10-8-13/h2-11H,1H3,(H,16,17)/t11-/m1/s1
InChIKeyPXAJVLWTDLKLRV-LLVKDONJSA-N
XLogP2.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzoyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40513318
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
1-[(1S)-1-phenylethyl]-3-(pyridine-4-carbonylamino)thiourea
CID 7299485
N-[1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 17173747
N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 42563511
N-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide
CID 43297585
4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide
CID 17330741
N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide
CID 42959631
N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 6466147
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide
CID 118604265
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1R)-1-phenylethyl]pyridine-4-carboxamide (CID 730033) is N-[(1R)-1-phenylethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]pyridine-4-carboxamide is C[C@@H](NC(=O)c1ccncc1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]pyridine-4-carboxamide?
The InChIKey is PXAJVLWTDLKLRV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H14N2O/c1-11(12-5-3-2-4-6-12)16-14(17)13-7-9-15-10-8-13/h2-11H,1H3,(H,16,17)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]pyridine-4-carboxamide?
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]pyridine-4-carboxamide is sourced from PubChem (CID 730033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).