2-amino-6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-4-carboxamide

C13H18ClN3O2 — CID 115760057

IUPAC2-amino-6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-4-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C13H18ClN3O2/c1-17(8-13(19)4-2-3-5-13)12(18)9-6-10(14)16-11(15)7-9/h6-7,19H,2-5,8H2,1H3,(H2,15,16)
InChIKeyNXDIATXCKXYTGP-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.69
Rot. Bonds3

About 2-amino-6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-4-carboxamide

2-amino-6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-4-carboxamide (PubChem CID 115760057) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-4-carboxamide
PubChem CID115760057
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name2-amino-6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-4-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C13H18ClN3O2/c1-17(8-13(19)4-2-3-5-13)12(18)9-6-10(14)16-11(15)7-9/h6-7,19H,2-5,8H2,1H3,(H2,15,16)
InChIKeyNXDIATXCKXYTGP-UHFFFAOYSA-N
XLogP1.69
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-carboxamide
CID 62153601
2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide
CID 114953146
6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazine-2-carboxamide
CID 106551582
3-amino-5-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
CID 114946695
2-amino-6-chloro-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62155974
2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 114946703
4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-2-carboxamide
CID 113322275
4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 114953067
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2H-benzotriazole-5-carboxamide
CID 115759787
2-amino-6-chloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 64517569
2-amino-6-chloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 62154274
2-amino-6-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide
CID 62159832

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-4-carboxamide (CID 115760057) is 2-amino-6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-4-carboxamide is CN(CC1(O)CCCC1)C(=O)c1cc(N)nc(Cl)c1.
What is the InChIKey of 2-amino-6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-4-carboxamide?
The InChIKey is NXDIATXCKXYTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-17(8-13(19)4-2-3-5-13)12(18)9-6-10(14)16-11(15)7-9/h6-7,19H,2-5,8H2,1H3,(H2,15,16).
What are the key properties of 2-amino-6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-4-carboxamide?
2-amino-6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-4-carboxamide has a molecular weight of 283.76 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 115760057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).