1-(6-amino-5-chloro-3-pyridinyl)-2-(propan-2-ylamino)ethanone

C10H14ClN3O — CID 14371385

IUPAC1-(6-amino-5-chloro-3-pyridinyl)-2-(propan-2-ylamino)ethanone
SMILESCC(C)NCC(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C10H14ClN3O/c1-6(2)13-5-9(15)7-3-8(11)10(12)14-4-7/h3-4,6,13H,5H2,1-2H3,(H2,12,14)
InChIKeyYXIDFAIEDQBXMT-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.50
Rot. Bonds4

About 1-(6-amino-5-chloro-3-pyridinyl)-2-(propan-2-ylamino)ethanone

1-(6-amino-5-chloro-3-pyridinyl)-2-(propan-2-ylamino)ethanone (PubChem CID 14371385) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 1-(6-amino-5-chloro-3-pyridinyl)-2-(propan-2-ylamino)ethanone.

Molecular Properties

Compound Name1-(6-amino-5-chloro-3-pyridinyl)-2-(propan-2-ylamino)ethanone
PubChem CID14371385
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name1-(6-amino-5-chloro-3-pyridinyl)-2-(propan-2-ylamino)ethanone
SMILESCC(C)NCC(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C10H14ClN3O/c1-6(2)13-5-9(15)7-3-8(11)10(12)14-4-7/h3-4,6,13H,5H2,1-2H3,(H2,12,14)
InChIKeyYXIDFAIEDQBXMT-UHFFFAOYSA-N
XLogP1.50
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-5-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide
CID 110000831
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CID 130615065
6-amino-5-chloro-N-propylpyridine-3-carboxamide
CID 62156037
6-amino-5-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide
CID 62185664
1-(6-amino-5-chloro-3-pyridinyl)-2,2-dimethylpropan-1-one
CID 71036305
6-amino-5-chloro-N-(2-phenylpropyl)pyridine-3-carboxamide
CID 115601161
6-amino-5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyridine-3-carboxamide
CID 62186973
6-amino-5-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-carboxamide
CID 79555286
6-amino-5-chloro-N-(cyclobutylmethyl)pyridine-3-carboxamide
CID 62155457
(6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone
CID 130159370
6-amino-5-chloro-N-cyclooctylpyridine-3-carboxamide
CID 62152170
6-amino-5-chloro-N-(1-thiophen-3-ylethyl)pyridine-3-carboxamide
CID 62842868

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-chloro-3-pyridinyl)-2-(propan-2-ylamino)ethanone?
The IUPAC name of 1-(6-amino-5-chloro-3-pyridinyl)-2-(propan-2-ylamino)ethanone (CID 14371385) is 1-(6-amino-5-chloro-3-pyridinyl)-2-(propan-2-ylamino)ethanone.
What is the SMILES notation for 1-(6-amino-5-chloro-3-pyridinyl)-2-(propan-2-ylamino)ethanone?
The canonical SMILES for 1-(6-amino-5-chloro-3-pyridinyl)-2-(propan-2-ylamino)ethanone is CC(C)NCC(=O)c1cnc(N)c(Cl)c1.
What is the InChIKey of 1-(6-amino-5-chloro-3-pyridinyl)-2-(propan-2-ylamino)ethanone?
The InChIKey is YXIDFAIEDQBXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-6(2)13-5-9(15)7-3-8(11)10(12)14-4-7/h3-4,6,13H,5H2,1-2H3,(H2,12,14).
What are the key properties of 1-(6-amino-5-chloro-3-pyridinyl)-2-(propan-2-ylamino)ethanone?
1-(6-amino-5-chloro-3-pyridinyl)-2-(propan-2-ylamino)ethanone has a molecular weight of 227.69 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5-chloro-3-pyridinyl)-2-(propan-2-ylamino)ethanone is sourced from PubChem (CID 14371385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).