6-[imidazol-1-yl(propyl)amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide

C32H36N6O3 — CID 69165670

IUPAC6-[imidazol-1-yl(propyl)amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide
SMILESCCCN(c1ccc(C(=O)Nc2cc(C(=O)N3CCC(c4ccc(OC)cc4)CC3)ccc2C)cn1)n1ccnc1
InChIInChI=1S/C32H36N6O3/c1-4-16-38(37-19-15-33-22-37)30-12-9-27(21-34-30)31(39)35-29-20-26(6-5-23(29)2)32(40)36-17-13-25(14-18-36)24-7-10-28(41-3)11-8-24/h5-12,15,19-22,25H,4,13-14,16-18H2,1-3H3,(H,35,39)
InChIKeyVMEJXUKDPWQZBP-UHFFFAOYSA-N
MW552.68 g/mol
LogP5.55
Rot. Bonds9

About 6-[imidazol-1-yl(propyl)amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide

6-[imidazol-1-yl(propyl)amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide (PubChem CID 69165670) has the molecular formula C32H36N6O3 and a molecular weight of 552.68 g/mol. Its IUPAC name is 6-[imidazol-1-yl(propyl)amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[imidazol-1-yl(propyl)amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide
PubChem CID69165670
Molecular FormulaC32H36N6O3
Molecular Weight552.68 g/mol
Exact Mass552.28
IUPAC Name6-[imidazol-1-yl(propyl)amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide
SMILESCCCN(c1ccc(C(=O)Nc2cc(C(=O)N3CCC(c4ccc(OC)cc4)CC3)ccc2C)cn1)n1ccnc1
InChIInChI=1S/C32H36N6O3/c1-4-16-38(37-19-15-33-22-37)30-12-9-27(21-34-30)31(39)35-29-20-26(6-5-23(29)2)32(40)36-17-13-25(14-18-36)24-7-10-28(41-3)11-8-24/h5-12,15,19-22,25H,4,13-14,16-18H2,1-3H3,(H,35,39)
InChIKeyVMEJXUKDPWQZBP-UHFFFAOYSA-N
XLogP5.55
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.68
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[imidazol-1-yl(propyl)amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide?
The IUPAC name of 6-[imidazol-1-yl(propyl)amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide (CID 69165670) is 6-[imidazol-1-yl(propyl)amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[imidazol-1-yl(propyl)amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[imidazol-1-yl(propyl)amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide is CCCN(c1ccc(C(=O)Nc2cc(C(=O)N3CCC(c4ccc(OC)cc4)CC3)ccc2C)cn1)n1ccnc1.
What is the InChIKey of 6-[imidazol-1-yl(propyl)amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide?
The InChIKey is VMEJXUKDPWQZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N6O3/c1-4-16-38(37-19-15-33-22-37)30-12-9-27(21-34-30)31(39)35-29-20-26(6-5-23(29)2)32(40)36-17-13-25(14-18-36)24-7-10-28(41-3)11-8-24/h5-12,15,19-22,25H,4,13-14,16-18H2,1-3H3,(H,35,39).
What are the key properties of 6-[imidazol-1-yl(propyl)amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide?
6-[imidazol-1-yl(propyl)amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide has a molecular weight of 552.68 g/mol, XLogP of 5.55, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[imidazol-1-yl(propyl)amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 69165670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).