3-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide

C14H20ClN3O — CID 63940498

IUPAC3-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccc(Cl)c(C(=O)N(CC)CC2CC2)n1
InChIInChI=1S/C14H20ClN3O/c1-3-16-12-8-7-11(15)13(17-12)14(19)18(4-2)9-10-5-6-10/h7-8,10H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyAKFLFVGNSQWIIQ-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.04
Rot. Bonds6

About 3-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide

3-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide (PubChem CID 63940498) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 3-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide
PubChem CID63940498
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name3-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccc(Cl)c(C(=O)N(CC)CC2CC2)n1
InChIInChI=1S/C14H20ClN3O/c1-3-16-12-8-7-11(15)13(17-12)14(19)18(4-2)9-10-5-6-10/h7-8,10H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyAKFLFVGNSQWIIQ-UHFFFAOYSA-N
XLogP3.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyridine amide, 13
CID 44236999
2-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 24686910
N-(5-chloropyridin-2-yl)pyridine-2-carboxamide
CID 3421108
4-chloro-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 25346044
6-amino-3-chloro-N,N-dimethylpyridine-2-carboxamide
CID 62154321
N-methyl-6-[2-(3-methylpiperidin-1-yl)ethylamino]pyridine-2-carboxamide
CID 71862484
2-[(5-chloro-6-cyano-2-pyridinyl)amino]-N,N-diethylacetamide
CID 72020288
6-acetamido-3-bromo-N-(cyclopropylmethyl)-N-propylpyridine-2-carboxamide
CID 72102945
4-chloro-N-[6-(dimethylamino)-2-pyridinyl]pyridine-2-carboxamide
CID 75501648
N-methyl-6-[(3S)-3-(2-methylpropanoylamino)piperidin-1-yl]pyridine-2-carboxamide
CID 97596258
6-{[2-(4-Ethylpiperazin-1-YL)-2-methylpropyl]amino}pyridine-2-carboxamide
CID 122558859
N-Methyl-6-[({1-[(4-methylpiperazin-1-YL)methyl]cyclopropyl}methyl)amino]pyridine-2-carboxamide
CID 124216466

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide (CID 63940498) is 3-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide is CCNc1ccc(Cl)c(C(=O)N(CC)CC2CC2)n1.
What is the InChIKey of 3-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide?
The InChIKey is AKFLFVGNSQWIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-3-16-12-8-7-11(15)13(17-12)14(19)18(4-2)9-10-5-6-10/h7-8,10H,3-6,9H2,1-2H3,(H,16,17).
What are the key properties of 3-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide?
3-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 63940498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).