2-amino-6-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide

C13H18ClN3O — CID 55041470

IUPAC2-amino-6-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C13H18ClN3O/c1-2-5-17(8-9-3-4-9)13(18)10-6-11(14)16-12(15)7-10/h6-7,9H,2-5,8H2,1H3,(H2,15,16)
InChIKeyVJVSKQHMVYZDSV-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.58
Rot. Bonds5

About 2-amino-6-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide

2-amino-6-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide (PubChem CID 55041470) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide
PubChem CID55041470
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name2-amino-6-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C13H18ClN3O/c1-2-5-17(8-9-3-4-9)13(18)10-6-11(14)16-12(15)7-10/h6-7,9H,2-5,8H2,1H3,(H2,15,16)
InChIKeyVJVSKQHMVYZDSV-UHFFFAOYSA-N
XLogP2.58
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propylbenzamide
CID 60654225
N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-propylbenzamide
CID 78785886
2-amino-6-chloro-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 62155383
2-amino-6-chloro-N-(4-propylcyclohexyl)pyridine-4-carboxamide
CID 62161947
4-chloro-N-(cyclopropylmethyl)-3-methylsulfonyl-N-propylbenzamide
CID 78785868
2-amino-N-(cyclobutylmethyl)-N-ethyl-6-propan-2-ylpyridine-4-carboxamide
CID 107401363
2,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-4-carboxamide
CID 63101703
2-amino-N-(cyclopropylmethyl)-N-propylbenzamide
CID 22493330
N-(cyclopropylmethyl)-3-hydroxy-N-propylnaphthalene-2-carboxamide
CID 60654196
2-amino-N-(cyclopropylmethyl)-N-ethylpyridine-4-carboxamide
CID 63939345
N-(cyclopropylmethyl)-N-propyl-3-sulfanylbenzamide
CID 107024680
2-amino-6-chloro-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62155974

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide (CID 55041470) is 2-amino-6-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide is CCCN(CC1CC1)C(=O)c1cc(N)nc(Cl)c1.
What is the InChIKey of 2-amino-6-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide?
The InChIKey is VJVSKQHMVYZDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-2-5-17(8-9-3-4-9)13(18)10-6-11(14)16-12(15)7-10/h6-7,9H,2-5,8H2,1H3,(H2,15,16).
What are the key properties of 2-amino-6-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide?
2-amino-6-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide is sourced from PubChem (CID 55041470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).