5-methyl-N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-imidazole-4-carboxamide

C15H20N6O — CID 138030706

IUPAC5-methyl-N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-imidazole-4-carboxamide
SMILESCc1[nH]cnc1C(=O)Nc1cc(N2CCN(C)CC2)ccn1
InChIInChI=1S/C15H20N6O/c1-11-14(18-10-17-11)15(22)19-13-9-12(3-4-16-13)21-7-5-20(2)6-8-21/h3-4,9-10H,5-8H2,1-2H3,(H,17,18)(H,16,19,22)
InChIKeyUEHSDXYWTDSCCM-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.12
Rot. Bonds3

About 5-methyl-N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-imidazole-4-carboxamide

5-methyl-N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-imidazole-4-carboxamide (PubChem CID 138030706) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 5-methyl-N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-imidazole-4-carboxamide
PubChem CID138030706
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name5-methyl-N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-imidazole-4-carboxamide
SMILESCc1[nH]cnc1C(=O)Nc1cc(N2CCN(C)CC2)ccn1
InChIInChI=1S/C15H20N6O/c1-11-14(18-10-17-11)15(22)19-13-9-12(3-4-16-13)21-7-5-20(2)6-8-21/h3-4,9-10H,5-8H2,1-2H3,(H,17,18)(H,16,19,22)
InChIKeyUEHSDXYWTDSCCM-UHFFFAOYSA-N
XLogP1.12
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyridine-2-carboxamide
CID 154869705
N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxopiperidine-3-carboxamide
CID 138031647
4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109208359
5-methyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide
CID 110684009
N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208236
2-methylbenzene-1,3-dicarboxylic acid;1-[[4-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]propan-2-ol
CID 174632028
N-(4-piperazin-1-yl-2-pyridinyl)-5-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 167943236
N-[2-(4-methoxyphenoxy)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208280
cyclopentane;[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid
CID 69252651
[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]carbamic acid
CID 21274449
[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid;cyclopropane
CID 69252851
4-(4-methylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide
CID 109202089

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-imidazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-imidazole-4-carboxamide (CID 138030706) is 5-methyl-N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-imidazole-4-carboxamide is Cc1[nH]cnc1C(=O)Nc1cc(N2CCN(C)CC2)ccn1.
What is the InChIKey of 5-methyl-N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-imidazole-4-carboxamide?
The InChIKey is UEHSDXYWTDSCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-11-14(18-10-17-11)15(22)19-13-9-12(3-4-16-13)21-7-5-20(2)6-8-21/h3-4,9-10H,5-8H2,1-2H3,(H,17,18)(H,16,19,22).
What are the key properties of 5-methyl-N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-imidazole-4-carboxamide?
5-methyl-N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-imidazole-4-carboxamide has a molecular weight of 300.37 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-imidazole-4-carboxamide is sourced from PubChem (CID 138030706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).