N-[(1S)-1,2-dipyridin-2-ylethyl]pyridine-2-carboxamide

C18H16N4O — CID 101160308

IUPACN-[(1S)-1,2-dipyridin-2-ylethyl]pyridine-2-carboxamide
SMILESO=C(N[C@@H](Cc1ccccn1)c1ccccn1)c1ccccn1
InChIInChI=1S/C18H16N4O/c23-18(16-9-3-6-12-21-16)22-17(15-8-2-5-11-20-15)13-14-7-1-4-10-19-14/h1-12,17H,13H2,(H,22,23)/t17-/m0/s1
InChIKeyXCJALJXKHGYLPJ-KRWDZBQOSA-N
MW304.35 g/mol
LogP2.59
Rot. Bonds5

About N-[(1S)-1,2-dipyridin-2-ylethyl]pyridine-2-carboxamide

N-[(1S)-1,2-dipyridin-2-ylethyl]pyridine-2-carboxamide (PubChem CID 101160308) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[(1S)-1,2-dipyridin-2-ylethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1,2-dipyridin-2-ylethyl]pyridine-2-carboxamide
PubChem CID101160308
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN-[(1S)-1,2-dipyridin-2-ylethyl]pyridine-2-carboxamide
SMILESO=C(N[C@@H](Cc1ccccn1)c1ccccn1)c1ccccn1
InChIInChI=1S/C18H16N4O/c23-18(16-9-3-6-12-21-16)22-17(15-8-2-5-11-20-15)13-14-7-1-4-10-19-14/h1-12,17H,13H2,(H,22,23)/t17-/m0/s1
InChIKeyXCJALJXKHGYLPJ-KRWDZBQOSA-N
XLogP2.59
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1,2-dipyridin-2-ylethyl]pyridine-2-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

N-(1-phenylpropyl)pyridine-2-carboxamide
CID 5305559
(1-phenyl-2-pyridin-2-ylethyl)carbamic acid
CID 134541861
1,2-dipyridin-2-ylethanol
CID 11458306
(3S)-3-(2-chlorophenyl)-3-(pyridine-2-carbonylamino)propanoic acid
CID 125467429
N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-2-carboxamide
CID 55169382
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927
N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707
4-methyl-N-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide
CID 96550906
2-phenyl-N-[(1R)-1-pyridin-2-ylpropyl]benzamide
CID 95191323
(2S)-2-(carboxyamino)-3-pyridin-2-ylpropanoic acid
CID 90150229
N-[1-[2,6-bis(2-methylpropyl)phenyl]ethyl]pyridine-2-carboxamide
CID 72711320
N-(1-bromobutan-2-yl)pyridine-2-carboxamide
CID 114307782

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1,2-dipyridin-2-ylethyl]pyridine-2-carboxamide?
The IUPAC name of N-[(1S)-1,2-dipyridin-2-ylethyl]pyridine-2-carboxamide (CID 101160308) is N-[(1S)-1,2-dipyridin-2-ylethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1,2-dipyridin-2-ylethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(1S)-1,2-dipyridin-2-ylethyl]pyridine-2-carboxamide is O=C(N[C@@H](Cc1ccccn1)c1ccccn1)c1ccccn1.
What is the InChIKey of N-[(1S)-1,2-dipyridin-2-ylethyl]pyridine-2-carboxamide?
The InChIKey is XCJALJXKHGYLPJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16N4O/c23-18(16-9-3-6-12-21-16)22-17(15-8-2-5-11-20-15)13-14-7-1-4-10-19-14/h1-12,17H,13H2,(H,22,23)/t17-/m0/s1.
What are the key properties of N-[(1S)-1,2-dipyridin-2-ylethyl]pyridine-2-carboxamide?
N-[(1S)-1,2-dipyridin-2-ylethyl]pyridine-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1,2-dipyridin-2-ylethyl]pyridine-2-carboxamide is sourced from PubChem (CID 101160308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).