N-[4-(1-aminoethyl)phenyl]-6-chloropyridine-3-carboxamide

C14H14ClN3O — CID 87629972

IUPACN-[4-(1-aminoethyl)phenyl]-6-chloropyridine-3-carboxamide
SMILESCC(N)c1ccc(NC(=O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C14H14ClN3O/c1-9(16)10-2-5-12(6-3-10)18-14(19)11-4-7-13(15)17-8-11/h2-9H,16H2,1H3,(H,18,19)
InChIKeyMWZWSWIJLHTWGS-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.01
Rot. Bonds3

About N-[4-(1-aminoethyl)phenyl]-6-chloropyridine-3-carboxamide

N-[4-(1-aminoethyl)phenyl]-6-chloropyridine-3-carboxamide (PubChem CID 87629972) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)phenyl]-6-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)phenyl]-6-chloropyridine-3-carboxamide
PubChem CID87629972
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC NameN-[4-(1-aminoethyl)phenyl]-6-chloropyridine-3-carboxamide
SMILESCC(N)c1ccc(NC(=O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C14H14ClN3O/c1-9(16)10-2-5-12(6-3-10)18-14(19)11-4-7-13(15)17-8-11/h2-9H,16H2,1H3,(H,18,19)
InChIKeyMWZWSWIJLHTWGS-UHFFFAOYSA-N
XLogP3.01
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.01
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

N-(4-butan-2-ylphenyl)-6-chloropyridine-3-carboxamide
CID 4555488
6-chloro-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]pyridine-3-carboxamide
CID 95157187
6-chloro-N-(2-chloropyrimidin-5-yl)pyridine-3-carboxamide
CID 10125350
6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 9218589
6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide
CID 91312921
6-chloro-N-[(2S)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 28880213
N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide
CID 103789282
6-bromo-N-(6-chloro-3-pyridinyl)pyridine-3-carboxamide
CID 79420958
N-(6-chloro-3-pyridinyl)-4-(3-hydroxybutanoylamino)benzamide
CID 110178942
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
6-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 113226989
3-[4-[(6-chloropyridine-3-carbonyl)amino]phenyl]propanoic acid
CID 81368393

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)phenyl]-6-chloropyridine-3-carboxamide?
The IUPAC name of N-[4-(1-aminoethyl)phenyl]-6-chloropyridine-3-carboxamide (CID 87629972) is N-[4-(1-aminoethyl)phenyl]-6-chloropyridine-3-carboxamide.
What is the SMILES notation for N-[4-(1-aminoethyl)phenyl]-6-chloropyridine-3-carboxamide?
The canonical SMILES for N-[4-(1-aminoethyl)phenyl]-6-chloropyridine-3-carboxamide is CC(N)c1ccc(NC(=O)c2ccc(Cl)nc2)cc1.
What is the InChIKey of N-[4-(1-aminoethyl)phenyl]-6-chloropyridine-3-carboxamide?
The InChIKey is MWZWSWIJLHTWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-9(16)10-2-5-12(6-3-10)18-14(19)11-4-7-13(15)17-8-11/h2-9H,16H2,1H3,(H,18,19).
What are the key properties of N-[4-(1-aminoethyl)phenyl]-6-chloropyridine-3-carboxamide?
N-[4-(1-aminoethyl)phenyl]-6-chloropyridine-3-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)phenyl]-6-chloropyridine-3-carboxamide is sourced from PubChem (CID 87629972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).