1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]imidazole-2-carbonitrile

C14H15N5 — CID 80635421

IUPAC1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]imidazole-2-carbonitrile
SMILESCc1cc(CNC2CC2)cnc1-n1ccnc1C#N
InChIInChI=1S/C14H15N5/c1-10-6-11(8-17-12-2-3-12)9-18-14(10)19-5-4-16-13(19)7-15/h4-6,9,12,17H,2-3,8H2,1H3
InChIKeyRPJJAGKPLNMYAJ-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.70
Rot. Bonds4

About 1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]imidazole-2-carbonitrile

1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]imidazole-2-carbonitrile (PubChem CID 80635421) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]imidazole-2-carbonitrile.

Molecular Properties

Compound Name1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]imidazole-2-carbonitrile
PubChem CID80635421
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]imidazole-2-carbonitrile
SMILESCc1cc(CNC2CC2)cnc1-n1ccnc1C#N
InChIInChI=1S/C14H15N5/c1-10-6-11(8-17-12-2-3-12)9-18-14(10)19-5-4-16-13(19)7-15/h4-6,9,12,17H,2-3,8H2,1H3
InChIKeyRPJJAGKPLNMYAJ-UHFFFAOYSA-N
XLogP1.70
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]imidazole-2-carbonitrile
CID 113388336
1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-1,2,4-triazole-3-carbonitrile
CID 80635344
N-[[6-(2,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80636282
N-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80635458
N-[[5-methyl-6-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 103499364
N-[[5-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 80635691
N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80630739
N-[[6-(3,3-dimethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80635474
N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80636296
1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-N-methylpyrazole-3-carboxamide
CID 80637553
4-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-3-ethylpiperazin-2-one
CID 80638580
1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 80637058

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]imidazole-2-carbonitrile?
The IUPAC name of 1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]imidazole-2-carbonitrile (CID 80635421) is 1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]imidazole-2-carbonitrile.
What is the SMILES notation for 1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]imidazole-2-carbonitrile?
The canonical SMILES for 1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]imidazole-2-carbonitrile is Cc1cc(CNC2CC2)cnc1-n1ccnc1C#N.
What is the InChIKey of 1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]imidazole-2-carbonitrile?
The InChIKey is RPJJAGKPLNMYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-10-6-11(8-17-12-2-3-12)9-18-14(10)19-5-4-16-13(19)7-15/h4-6,9,12,17H,2-3,8H2,1H3.
What are the key properties of 1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]imidazole-2-carbonitrile?
1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]imidazole-2-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]imidazole-2-carbonitrile is sourced from PubChem (CID 80635421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).