N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[1-(2-imino-3-methylimidazol-1-yl)propyl]-5-(2-methoxy-4-pyridinyl)benzamide

C30H34N6O2 — CID 146456096

IUPACN-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[1-(2-imino-3-methylimidazol-1-yl)propyl]-5-(2-methoxy-4-pyridinyl)benzamide
SMILES[H]/N=c1\n(C)ccn1C(CC)c1cc(C(=O)NC(c2cc(C)ccn2)C2CC2)cc(-c2ccnc(OC)c2)c1
InChIInChI=1S/C30H34N6O2/c1-5-26(36-13-12-35(3)30(36)31)23-15-22(21-9-11-33-27(18-21)38-4)16-24(17-23)29(37)34-28(20-6-7-20)25-14-19(2)8-10-32-25/h8-18,20,26,28,31H,5-7H2,1-4H3,(H,34,37)/b31-30+
InChIKeyUFEMVVZSZLATSU-NVQSTNCTSA-N
MW510.64 g/mol
LogP4.96
Rot. Bonds9

About N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[1-(2-imino-3-methylimidazol-1-yl)propyl]-5-(2-methoxy-4-pyridinyl)benzamide

N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[1-(2-imino-3-methylimidazol-1-yl)propyl]-5-(2-methoxy-4-pyridinyl)benzamide (PubChem CID 146456096) has the molecular formula C30H34N6O2 and a molecular weight of 510.64 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[1-(2-imino-3-methylimidazol-1-yl)propyl]-5-(2-methoxy-4-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[1-(2-imino-3-methylimidazol-1-yl)propyl]-5-(2-methoxy-4-pyridinyl)benzamide
PubChem CID146456096
Molecular FormulaC30H34N6O2
Molecular Weight510.64 g/mol
Exact Mass510.27
IUPAC NameN-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[1-(2-imino-3-methylimidazol-1-yl)propyl]-5-(2-methoxy-4-pyridinyl)benzamide
SMILES[H]/N=c1\n(C)ccn1C(CC)c1cc(C(=O)NC(c2cc(C)ccn2)C2CC2)cc(-c2ccnc(OC)c2)c1
InChIInChI=1S/C30H34N6O2/c1-5-26(36-13-12-35(3)30(36)31)23-15-22(21-9-11-33-27(18-21)38-4)16-24(17-23)29(37)34-28(20-6-7-20)25-14-19(2)8-10-32-25/h8-18,20,26,28,31H,5-7H2,1-4H3,(H,34,37)/b31-30+
InChIKeyUFEMVVZSZLATSU-NVQSTNCTSA-N
XLogP4.96
TPSA97.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.64
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[1-(2-imino-3-methylimidazol-1-yl)propyl]-5-(2-methoxy-4-pyridinyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{2-[3-(2,6-Diisopropyl-phenyl)-ureido]-1-methyl-1-pyridin-2-yl-ethyl}-4-methoxy-benzamide
CID 10323227
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 53312321
US10807959, Example 50
CID 146370718
US10807959, Example 46
CID 146370721
US10807959, Example B114
CID 146370725
US10807959, Example 11
CID 146370732
US10807959, Example 48
CID 146370761
US10807959, Example 51
CID 146370797
US10807959, Example 53
CID 146370819
US10807959, Example 49
CID 146371094
US10844044, Example 127
CID 146455719
US10844044, Example 261
CID 146455803

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[1-(2-imino-3-methylimidazol-1-yl)propyl]-5-(2-methoxy-4-pyridinyl)benzamide?
The IUPAC name of N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[1-(2-imino-3-methylimidazol-1-yl)propyl]-5-(2-methoxy-4-pyridinyl)benzamide (CID 146456096) is N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[1-(2-imino-3-methylimidazol-1-yl)propyl]-5-(2-methoxy-4-pyridinyl)benzamide.
What is the SMILES notation for N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[1-(2-imino-3-methylimidazol-1-yl)propyl]-5-(2-methoxy-4-pyridinyl)benzamide?
The canonical SMILES for N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[1-(2-imino-3-methylimidazol-1-yl)propyl]-5-(2-methoxy-4-pyridinyl)benzamide is [H]/N=c1\n(C)ccn1C(CC)c1cc(C(=O)NC(c2cc(C)ccn2)C2CC2)cc(-c2ccnc(OC)c2)c1.
What is the InChIKey of N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[1-(2-imino-3-methylimidazol-1-yl)propyl]-5-(2-methoxy-4-pyridinyl)benzamide?
The InChIKey is UFEMVVZSZLATSU-NVQSTNCTSA-N. The full InChI is InChI=1S/C30H34N6O2/c1-5-26(36-13-12-35(3)30(36)31)23-15-22(21-9-11-33-27(18-21)38-4)16-24(17-23)29(37)34-28(20-6-7-20)25-14-19(2)8-10-32-25/h8-18,20,26,28,31H,5-7H2,1-4H3,(H,34,37)/b31-30+.
What are the key properties of N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[1-(2-imino-3-methylimidazol-1-yl)propyl]-5-(2-methoxy-4-pyridinyl)benzamide?
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[1-(2-imino-3-methylimidazol-1-yl)propyl]-5-(2-methoxy-4-pyridinyl)benzamide has a molecular weight of 510.64 g/mol, XLogP of 4.96, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-[1-(2-imino-3-methylimidazol-1-yl)propyl]-5-(2-methoxy-4-pyridinyl)benzamide is sourced from PubChem (CID 146456096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).