N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide

C16H22ClN3O — CID 63684481

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ncc(C(=O)NCC2CC3CCC2C3)cc1Cl
InChIInChI=1S/C16H22ClN3O/c1-2-18-15-14(17)7-13(9-19-15)16(21)20-8-12-6-10-3-4-11(12)5-10/h7,9-12H,2-6,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyNTGHMSIOMYWOKE-UHFFFAOYSA-N
MW307.83 g/mol
LogP3.33
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide (PubChem CID 63684481) has the molecular formula C16H22ClN3O and a molecular weight of 307.83 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide
PubChem CID63684481
Molecular FormulaC16H22ClN3O
Molecular Weight307.83 g/mol
Exact Mass307.15
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ncc(C(=O)NCC2CC3CCC2C3)cc1Cl
InChIInChI=1S/C16H22ClN3O/c1-2-18-15-14(17)7-13(9-19-15)16(21)20-8-12-6-10-3-4-11(12)5-10/h7,9-12H,2-6,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyNTGHMSIOMYWOKE-UHFFFAOYSA-N
XLogP3.33
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-6-(ethylamino)pyridine-3-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

5-chloro-6-(ethylamino)-N-[(4-methylcyclohexyl)methyl]pyridine-3-carboxamide
CID 63499570
5-chloro-6-(ethylamino)-N-(2-methylcyclopropyl)pyridine-3-carboxamide
CID 55071772
5-chloro-N-cyclopropyl-N-ethyl-6-(ethylamino)pyridine-3-carboxamide
CID 62169291
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4,5-triethoxybenzamide
CID 60618253
5-chloro-6-(ethylamino)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide
CID 62171335
1-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]benzene-1,3-dicarboxamide
CID 98155306
5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-(ethylamino)pyridine-3-carboxamide
CID 64522048
5-chloro-6-(ethylamino)-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide
CID 106000787
N-(2-butoxyethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide
CID 62176364
5-chloro-N-[(2-ethyloxolan-3-yl)methyl]-6-hydrazinylpyridine-3-carboxamide
CID 114106885
5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide
CID 62178606
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(chloromethyl)benzamide
CID 63683122

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide (CID 63684481) is N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide is CCNc1ncc(C(=O)NCC2CC3CCC2C3)cc1Cl.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide?
The InChIKey is NTGHMSIOMYWOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-2-18-15-14(17)7-13(9-19-15)16(21)20-8-12-6-10-3-4-11(12)5-10/h7,9-12H,2-6,8H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide has a molecular weight of 307.83 g/mol, XLogP of 3.33, 5 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]heptanylmethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 63684481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).