5-[(1S)-1-aminoethyl]-2-chloropyridine-4-carboxamide

C8H10ClN3O — CID 130727934

IUPAC5-[(1S)-1-aminoethyl]-2-chloropyridine-4-carboxamide
SMILESC[C@H](N)c1cnc(Cl)cc1C(N)=O
InChIInChI=1S/C8H10ClN3O/c1-4(10)6-3-12-7(9)2-5(6)8(11)13/h2-4H,10H2,1H3,(H2,11,13)/t4-/m0/s1
InChIKeyVDKPSBDCQKLTAC-BYPYZUCNSA-N
MW199.64 g/mol
LogP0.85
Rot. Bonds2

About 5-[(1S)-1-aminoethyl]-2-chloropyridine-4-carboxamide

5-[(1S)-1-aminoethyl]-2-chloropyridine-4-carboxamide (PubChem CID 130727934) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 5-[(1S)-1-aminoethyl]-2-chloropyridine-4-carboxamide.

Molecular Properties

Compound Name5-[(1S)-1-aminoethyl]-2-chloropyridine-4-carboxamide
PubChem CID130727934
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name5-[(1S)-1-aminoethyl]-2-chloropyridine-4-carboxamide
SMILESC[C@H](N)c1cnc(Cl)cc1C(N)=O
InChIInChI=1S/C8H10ClN3O/c1-4(10)6-3-12-7(9)2-5(6)8(11)13/h2-4H,10H2,1H3,(H2,11,13)/t4-/m0/s1
InChIKeyVDKPSBDCQKLTAC-BYPYZUCNSA-N
XLogP0.85
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(6-chloro-4-methyl-3-pyridinyl)ethanamine
CID 55275523
6-chloro-4-methoxypyridine-3-carboxamide
CID 56773831
6-chloro-4-(2-methylpropanoyl)pyridine-3-carboxylic acid
CID 156538639
1-(5-amino-2-chloro-4-pyridinyl)-2-methylpropan-1-one
CID 118065331
2-chloro-5-propan-2-ylpyridine-3-carboxamide
CID 91356840
6-chloro-4-(2-hydroxypropylamino)pyridine-3-carboxamide
CID 146277774
(1R,2S)-1-amino-1-(2,5-dichloro-4-pyridinyl)propan-2-ol
CID 130701561
(2R)-2-amino-N-(4,6-dichloro-3-pyridinyl)propanamide
CID 118608605
propan-2-yl 5-bromo-2-chloropyridine-4-carboxylate
CID 130572345
6-chloro-4-(1-phenylethylamino)pyridine-3-carboxamide
CID 76789381
ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate
CID 163257915
N-(3-carbamoylthiophen-2-yl)-2,5-dichloropyridine-4-carboxamide
CID 114917686

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-aminoethyl]-2-chloropyridine-4-carboxamide?
The IUPAC name of 5-[(1S)-1-aminoethyl]-2-chloropyridine-4-carboxamide (CID 130727934) is 5-[(1S)-1-aminoethyl]-2-chloropyridine-4-carboxamide.
What is the SMILES notation for 5-[(1S)-1-aminoethyl]-2-chloropyridine-4-carboxamide?
The canonical SMILES for 5-[(1S)-1-aminoethyl]-2-chloropyridine-4-carboxamide is C[C@H](N)c1cnc(Cl)cc1C(N)=O.
What is the InChIKey of 5-[(1S)-1-aminoethyl]-2-chloropyridine-4-carboxamide?
The InChIKey is VDKPSBDCQKLTAC-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H10ClN3O/c1-4(10)6-3-12-7(9)2-5(6)8(11)13/h2-4H,10H2,1H3,(H2,11,13)/t4-/m0/s1.
What are the key properties of 5-[(1S)-1-aminoethyl]-2-chloropyridine-4-carboxamide?
5-[(1S)-1-aminoethyl]-2-chloropyridine-4-carboxamide has a molecular weight of 199.64 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-aminoethyl]-2-chloropyridine-4-carboxamide is sourced from PubChem (CID 130727934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).