5-chloro-N-cyclopropyl-6-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide

C14H20ClN3O — CID 55047231

IUPAC5-chloro-N-cyclopropyl-6-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)N(CC(C)C)C2CC2)cc1Cl
InChIInChI=1S/C14H20ClN3O/c1-9(2)8-18(11-4-5-11)14(19)10-6-12(15)13(16-3)17-7-10/h6-7,9,11H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyOSEHOOJKJRXKGF-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.04
Rot. Bonds5

About 5-chloro-N-cyclopropyl-6-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide

5-chloro-N-cyclopropyl-6-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide (PubChem CID 55047231) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-6-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-6-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide
PubChem CID55047231
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name5-chloro-N-cyclopropyl-6-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)N(CC(C)C)C2CC2)cc1Cl
InChIInChI=1S/C14H20ClN3O/c1-9(2)8-18(11-4-5-11)14(19)10-6-12(15)13(16-3)17-7-10/h6-7,9,11H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyOSEHOOJKJRXKGF-UHFFFAOYSA-N
XLogP3.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

5,6-dichloro-N-cyclopentyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 112725804
5-chloro-N-cyclopropyl-N-ethyl-6-(ethylamino)pyridine-3-carboxamide
CID 62169291
5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-carboxamide
CID 62170738
5-chloro-N-cyclopropyl-6-hydrazinyl-N-propylpyridine-3-carboxamide
CID 62243745
5-chloro-N-methyl-6-(methylamino)-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 62166006
5-chloro-N-cyclopropyl-N-ethyl-6-(propylamino)pyridine-3-carboxamide
CID 62169292
5-chloro-6-hydrazinyl-N,N-bis(2-methylpropyl)pyridine-3-carboxamide
CID 62236246
5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-(ethylamino)pyridine-3-carboxamide
CID 64522048
2-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridine-4-carboxamide
CID 60749864
5-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide
CID 112664211
5-chloro-N-methyl-6-(methylamino)-N-propylpyridine-3-carboxamide
CID 62168287
5-chloro-6-(ethylamino)-N,N-bis(2-methylpropyl)pyridine-3-carboxamide
CID 62180091

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-6-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-cyclopropyl-6-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide (CID 55047231) is 5-chloro-N-cyclopropyl-6-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclopropyl-6-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-cyclopropyl-6-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide is CNc1ncc(C(=O)N(CC(C)C)C2CC2)cc1Cl.
What is the InChIKey of 5-chloro-N-cyclopropyl-6-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is OSEHOOJKJRXKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-9(2)8-18(11-4-5-11)14(19)10-6-12(15)13(16-3)17-7-10/h6-7,9,11H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of 5-chloro-N-cyclopropyl-6-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide?
5-chloro-N-cyclopropyl-6-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-6-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 55047231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).