6-chloro-5-[(1S)-1,2-diaminoethyl]pyridine-3-carboxamide

C8H11ClN4O — CID 130693411

IUPAC6-chloro-5-[(1S)-1,2-diaminoethyl]pyridine-3-carboxamide
SMILESNC[C@@H](N)c1cc(C(N)=O)cnc1Cl
InChIInChI=1S/C8H11ClN4O/c9-7-5(6(11)2-10)1-4(3-13-7)8(12)14/h1,3,6H,2,10-11H2,(H2,12,14)/t6-/m1/s1
InChIKeyRDDLDOVHXJNGJP-ZCFIWIBFSA-N
MW214.66 g/mol
LogP-0.21
Rot. Bonds3

About 6-chloro-5-[(1S)-1,2-diaminoethyl]pyridine-3-carboxamide

6-chloro-5-[(1S)-1,2-diaminoethyl]pyridine-3-carboxamide (PubChem CID 130693411) has the molecular formula C8H11ClN4O and a molecular weight of 214.66 g/mol. Its IUPAC name is 6-chloro-5-[(1S)-1,2-diaminoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-5-[(1S)-1,2-diaminoethyl]pyridine-3-carboxamide
PubChem CID130693411
Molecular FormulaC8H11ClN4O
Molecular Weight214.66 g/mol
Exact Mass214.06
IUPAC Name6-chloro-5-[(1S)-1,2-diaminoethyl]pyridine-3-carboxamide
SMILESNC[C@@H](N)c1cc(C(N)=O)cnc1Cl
InChIInChI=1S/C8H11ClN4O/c9-7-5(6(11)2-10)1-4(3-13-7)8(12)14/h1,3,6H,2,10-11H2,(H2,12,14)/t6-/m1/s1
InChIKeyRDDLDOVHXJNGJP-ZCFIWIBFSA-N
XLogP-0.21
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.66
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-amino-3-(5-amino-2-chloro-3-pyridinyl)propanoic acid
CID 130667167
5-[(2S)-azetidin-2-yl]-6-chloropyridine-3-carboxamide
CID 131191374
6-(bromomethyl)-5-(difluoromethyl)pyridine-3-carboxamide
CID 130098307
2-amino-5-(1,2-diaminoethyl)pyridine-4-carboxylic acid
CID 55269278
(1R)-1-(5-amino-6-chloro-3-pyridinyl)ethane-1,2-diamine
CID 131097721
1-(2-amino-5-chloro-3-pyridinyl)ethane-1,2-diamine
CID 55273513
(1R)-1-(2,5-dichloro-3-pyridinyl)propan-1-amine
CID 130664333
1-(6-chloro-4-methyl-3-pyridinyl)ethane-1,2-diamine
CID 55273502
6-chloro-5-(1,2-dihydroxy-3-sulfanylpropyl)pyridine-3-carboxylic acid
CID 170820309
(3S)-3-amino-3-(5-bromo-2-chloro-3-pyridinyl)propanenitrile
CID 130740097
(1R)-1-(2-chloro-5-fluoro-4-pyridinyl)ethane-1,2-diamine
CID 55271464
6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide
CID 133292879

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[(1S)-1,2-diaminoethyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-5-[(1S)-1,2-diaminoethyl]pyridine-3-carboxamide (CID 130693411) is 6-chloro-5-[(1S)-1,2-diaminoethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-5-[(1S)-1,2-diaminoethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-5-[(1S)-1,2-diaminoethyl]pyridine-3-carboxamide is NC[C@@H](N)c1cc(C(N)=O)cnc1Cl.
What is the InChIKey of 6-chloro-5-[(1S)-1,2-diaminoethyl]pyridine-3-carboxamide?
The InChIKey is RDDLDOVHXJNGJP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11ClN4O/c9-7-5(6(11)2-10)1-4(3-13-7)8(12)14/h1,3,6H,2,10-11H2,(H2,12,14)/t6-/m1/s1.
What are the key properties of 6-chloro-5-[(1S)-1,2-diaminoethyl]pyridine-3-carboxamide?
6-chloro-5-[(1S)-1,2-diaminoethyl]pyridine-3-carboxamide has a molecular weight of 214.66 g/mol, XLogP of -0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[(1S)-1,2-diaminoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 130693411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).