N-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylimidazole-4-carboxamide

C15H18N4O — CID 107970828

IUPACN-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)N(c2ccc(CN)cc2)C2CC2)c1
InChIInChI=1S/C15H18N4O/c1-18-9-14(17-10-18)15(20)19(13-6-7-13)12-4-2-11(8-16)3-5-12/h2-5,9-10,13H,6-8,16H2,1H3
InChIKeyPUXAROQGGCKIHE-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.69
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylimidazole-4-carboxamide

N-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylimidazole-4-carboxamide (PubChem CID 107970828) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylimidazole-4-carboxamide
PubChem CID107970828
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)N(c2ccc(CN)cc2)C2CC2)c1
InChIInChI=1S/C15H18N4O/c1-18-9-14(17-10-18)15(20)19(13-6-7-13)12-4-2-11(8-16)3-5-12/h2-5,9-10,13H,6-8,16H2,1H3
InChIKeyPUXAROQGGCKIHE-UHFFFAOYSA-N
XLogP1.69
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-N-cyclopropylpyridine-2-carboxamide
CID 43276062
N-[4-(aminomethyl)phenyl]-N-cyclopropyl-6-methylpyridine-2-carboxamide
CID 43276034
N-[4-(aminomethyl)phenyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide
CID 104637940
N-(2-aminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide
CID 107970866
ethyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate
CID 43276107
N-(4-aminocyclohexyl)-1-methyl-N-propylimidazole-4-carboxamide
CID 107973411
N-[4-(aminomethyl)phenyl]-N-cyclopropyl-2-ethoxyacetamide
CID 43276024
N-[4-(aminomethyl)phenyl]-N-cyclopropyloxolane-2-carboxamide
CID 43276045
N-[4-(aminomethyl)phenyl]-N-cyclopropyloxolane-3-carboxamide
CID 61271794
1-methyl-N-[(3-methylphenyl)methyl]-N-(oxan-4-yl)imidazole-4-carboxamide
CID 158964319
phenyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate
CID 43276104
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide
CID 107974303

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylimidazole-4-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylimidazole-4-carboxamide (CID 107970828) is N-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylimidazole-4-carboxamide is Cn1cnc(C(=O)N(c2ccc(CN)cc2)C2CC2)c1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylimidazole-4-carboxamide?
The InChIKey is PUXAROQGGCKIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-18-9-14(17-10-18)15(20)19(13-6-7-13)12-4-2-11(8-16)3-5-12/h2-5,9-10,13H,6-8,16H2,1H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylimidazole-4-carboxamide?
N-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylimidazole-4-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 107970828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).