4-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]-1-methylpyrrole-2-carbonitrile

C15H14N6 — CID 103202852

IUPAC4-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]-1-methylpyrrole-2-carbonitrile
SMILESCn1cc(CNc2ccc(-n3ccnc3)nc2)cc1C#N
InChIInChI=1S/C15H14N6/c1-20-10-12(6-14(20)7-16)8-18-13-2-3-15(19-9-13)21-5-4-17-11-21/h2-6,9-11,18H,8H2,1H3
InChIKeyQPRPVDBWHZYGCX-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.09
Rot. Bonds4

About 4-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]-1-methylpyrrole-2-carbonitrile

4-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]-1-methylpyrrole-2-carbonitrile (PubChem CID 103202852) has the molecular formula C15H14N6 and a molecular weight of 278.32 g/mol. Its IUPAC name is 4-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]-1-methylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]-1-methylpyrrole-2-carbonitrile
PubChem CID103202852
Molecular FormulaC15H14N6
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name4-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]-1-methylpyrrole-2-carbonitrile
SMILESCn1cc(CNc2ccc(-n3ccnc3)nc2)cc1C#N
InChIInChI=1S/C15H14N6/c1-20-10-12(6-14(20)7-16)8-18-13-2-3-15(19-9-13)21-5-4-17-11-21/h2-6,9-11,18H,8H2,1H3
InChIKeyQPRPVDBWHZYGCX-UHFFFAOYSA-N
XLogP2.09
TPSA71.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-6-imidazol-1-ylpyridin-3-amine
CID 43710619
N-[(3,4-dichlorophenyl)methyl]-6-imidazol-1-ylpyridin-3-amine
CID 43710546
N-[(1-ethylpyrazol-4-yl)methyl]-6-imidazol-1-ylpyridin-3-amine
CID 103934270
6-imidazol-1-yl-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine
CID 43710494
6-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]pyridin-3-amine
CID 62756492
6-imidazol-1-yl-N-propylpyridin-3-amine
CID 43710767
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-6-imidazol-1-ylpyridin-3-amine
CID 166178985
4-[(6-imidazol-1-yl-3-pyridinyl)methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 18231342
4-[(3,4-dimethoxyanilino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103202497
6-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]pyridin-3-amine
CID 62957017
1-methyl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrole-2-carbonitrile
CID 103203387
N-tert-butyl-6-imidazol-1-ylpyridin-3-amine
CID 167253831

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]-1-methylpyrrole-2-carbonitrile?
The IUPAC name of 4-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]-1-methylpyrrole-2-carbonitrile (CID 103202852) is 4-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]-1-methylpyrrole-2-carbonitrile.
What is the SMILES notation for 4-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]-1-methylpyrrole-2-carbonitrile?
The canonical SMILES for 4-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]-1-methylpyrrole-2-carbonitrile is Cn1cc(CNc2ccc(-n3ccnc3)nc2)cc1C#N.
What is the InChIKey of 4-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]-1-methylpyrrole-2-carbonitrile?
The InChIKey is QPRPVDBWHZYGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6/c1-20-10-12(6-14(20)7-16)8-18-13-2-3-15(19-9-13)21-5-4-17-11-21/h2-6,9-11,18H,8H2,1H3.
What are the key properties of 4-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]-1-methylpyrrole-2-carbonitrile?
4-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]-1-methylpyrrole-2-carbonitrile has a molecular weight of 278.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]-1-methylpyrrole-2-carbonitrile is sourced from PubChem (CID 103202852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).