1-(2-aminoethyl)-N-(2-chloro-4-methyl-3-pyridinyl)imidazole-4-carboxamide

C12H14ClN5O — CID 107499014

IUPAC1-(2-aminoethyl)-N-(2-chloro-4-methyl-3-pyridinyl)imidazole-4-carboxamide
SMILESCc1ccnc(Cl)c1NC(=O)c1cn(CCN)cn1
InChIInChI=1S/C12H14ClN5O/c1-8-2-4-15-11(13)10(8)17-12(19)9-6-18(5-3-14)7-16-9/h2,4,6-7H,3,5,14H2,1H3,(H,17,19)
InChIKeyXUAAZXWVBSJFDN-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.45
Rot. Bonds4

About 1-(2-aminoethyl)-N-(2-chloro-4-methyl-3-pyridinyl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-(2-chloro-4-methyl-3-pyridinyl)imidazole-4-carboxamide (PubChem CID 107499014) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(2-chloro-4-methyl-3-pyridinyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(2-chloro-4-methyl-3-pyridinyl)imidazole-4-carboxamide
PubChem CID107499014
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name1-(2-aminoethyl)-N-(2-chloro-4-methyl-3-pyridinyl)imidazole-4-carboxamide
SMILESCc1ccnc(Cl)c1NC(=O)c1cn(CCN)cn1
InChIInChI=1S/C12H14ClN5O/c1-8-2-4-15-11(13)10(8)17-12(19)9-6-18(5-3-14)7-16-9/h2,4,6-7H,3,5,14H2,1H3,(H,17,19)
InChIKeyXUAAZXWVBSJFDN-UHFFFAOYSA-N
XLogP1.45
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminoethyl)-N-(3-bromo-4-methylphenyl)imidazole-4-carboxamide
CID 84605534
1-(2-aminoethyl)-N-(2-chloropyrimidin-4-yl)imidazole-4-carboxamide
CID 107499822
1-(2-aminoethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)imidazole-4-carboxamide
CID 107499798
1-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)imidazole-4-carboxamide
CID 107495632
1-(2-aminoethyl)-N-(4-fluoro-3-methylphenyl)imidazole-4-carboxamide
CID 107498340
1-(2-aminoethyl)-N-(2-hydroxy-3-methylphenyl)imidazole-4-carboxamide
CID 107499209
1-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide
CID 107495701
1-(2-aminoethyl)-N-(3-hydroxy-6-methyl-2-pyridinyl)imidazole-4-carboxamide
CID 107499624
1-(2-aminoethyl)-N-(6-chloropyridazin-3-yl)imidazole-4-carboxamide
CID 107499813
1-(2-aminoethyl)-N-(3-methoxy-2,4-dimethylphenyl)imidazole-4-carboxamide
CID 107496194
1-(2-aminoethyl)-N-(4-iodophenyl)imidazole-4-carboxamide
CID 107495861
1-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]imidazole-4-carboxamide
CID 107496124

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(2-chloro-4-methyl-3-pyridinyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(2-chloro-4-methyl-3-pyridinyl)imidazole-4-carboxamide (CID 107499014) is 1-(2-aminoethyl)-N-(2-chloro-4-methyl-3-pyridinyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(2-chloro-4-methyl-3-pyridinyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(2-chloro-4-methyl-3-pyridinyl)imidazole-4-carboxamide is Cc1ccnc(Cl)c1NC(=O)c1cn(CCN)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-(2-chloro-4-methyl-3-pyridinyl)imidazole-4-carboxamide?
The InChIKey is XUAAZXWVBSJFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-8-2-4-15-11(13)10(8)17-12(19)9-6-18(5-3-14)7-16-9/h2,4,6-7H,3,5,14H2,1H3,(H,17,19).
What are the key properties of 1-(2-aminoethyl)-N-(2-chloro-4-methyl-3-pyridinyl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(2-chloro-4-methyl-3-pyridinyl)imidazole-4-carboxamide has a molecular weight of 279.73 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(2-chloro-4-methyl-3-pyridinyl)imidazole-4-carboxamide is sourced from PubChem (CID 107499014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).