N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)pyridine-3-carboxamide

C14H19N3O — CID 81245437

IUPACN-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)NC1CC2CCC1C2
InChIInChI=1S/C14H19N3O/c1-15-12-4-5-16-8-11(12)14(18)17-13-7-9-2-3-10(13)6-9/h4-5,8-10,13H,2-3,6-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyIOYOJRUBNDCAOG-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.04
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)pyridine-3-carboxamide

N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)pyridine-3-carboxamide (PubChem CID 81245437) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)pyridine-3-carboxamide
PubChem CID81245437
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)NC1CC2CCC1C2
InChIInChI=1S/C14H19N3O/c1-15-12-4-5-16-8-11(12)14(18)17-13-7-9-2-3-10(13)6-9/h4-5,8-10,13H,2-3,6-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyIOYOJRUBNDCAOG-UHFFFAOYSA-N
XLogP2.04
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-N-(2-methylcyclopropyl)pyridine-3-carboxamide
CID 81240460
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide
CID 125073491
N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-methylbenzamide
CID 82829980
N-(3-ethylcyclohexyl)-4-(methylamino)pyridine-3-carboxamide
CID 81244940
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide
CID 958830
N-(2-bicyclo[2.2.1]heptanyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 58692675
3-(methylamino)-N-(2-methylcycloheptyl)pyridine-4-carboxamide
CID 105070514
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-iodobenzamide
CID 23306993
2-amino-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 71624225
N-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-methylbenzamide
CID 80710467
N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81232589
N-(2,3-dimethylcyclohexyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81236631

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)pyridine-3-carboxamide (CID 81245437) is N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)pyridine-3-carboxamide is CNc1ccncc1C(=O)NC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)pyridine-3-carboxamide?
The InChIKey is IOYOJRUBNDCAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-15-12-4-5-16-8-11(12)14(18)17-13-7-9-2-3-10(13)6-9/h4-5,8-10,13H,2-3,6-7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)pyridine-3-carboxamide?
N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)pyridine-3-carboxamide has a molecular weight of 245.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81245437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).