N-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-6-methylpyridine-3-carboxamide

C28H33N5O — CID 68665367

IUPACN-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(CCCN)C(c2nc3ccccc3n2Cc2ccccc2)C(C)C)cn1
InChIInChI=1S/C28H33N5O/c1-20(2)26(32(17-9-16-29)28(34)23-15-14-21(3)30-18-23)27-31-24-12-7-8-13-25(24)33(27)19-22-10-5-4-6-11-22/h4-8,10-15,18,20,26H,9,16-17,19,29H2,1-3H3
InChIKeyIOAWTSAJCNJOSE-UHFFFAOYSA-N
MW455.61 g/mol
LogP4.98
Rot. Bonds9

About N-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-6-methylpyridine-3-carboxamide

N-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-6-methylpyridine-3-carboxamide (PubChem CID 68665367) has the molecular formula C28H33N5O and a molecular weight of 455.61 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-6-methylpyridine-3-carboxamide
PubChem CID68665367
Molecular FormulaC28H33N5O
Molecular Weight455.61 g/mol
Exact Mass455.27
IUPAC NameN-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(CCCN)C(c2nc3ccccc3n2Cc2ccccc2)C(C)C)cn1
InChIInChI=1S/C28H33N5O/c1-20(2)26(32(17-9-16-29)28(34)23-15-14-21(3)30-18-23)27-31-24-12-7-8-13-25(24)33(27)19-22-10-5-4-6-11-22/h4-8,10-15,18,20,26H,9,16-17,19,29H2,1-3H3
InChIKeyIOAWTSAJCNJOSE-UHFFFAOYSA-N
XLogP4.98
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-6-methylpyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-6-methylpyridine-3-carboxamide (CID 68665367) is N-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)N(CCCN)C(c2nc3ccccc3n2Cc2ccccc2)C(C)C)cn1.
What is the InChIKey of N-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-6-methylpyridine-3-carboxamide?
The InChIKey is IOAWTSAJCNJOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O/c1-20(2)26(32(17-9-16-29)28(34)23-15-14-21(3)30-18-23)27-31-24-12-7-8-13-25(24)33(27)19-22-10-5-4-6-11-22/h4-8,10-15,18,20,26H,9,16-17,19,29H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-6-methylpyridine-3-carboxamide?
N-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-6-methylpyridine-3-carboxamide has a molecular weight of 455.61 g/mol, XLogP of 4.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 68665367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).