N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methylpyridine-3-carboxamide

C34H37N5O4 — CID 66710664

IUPACN-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methylpyridine-3-carboxamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)N(C)C4CCN(Cc5ccc(C#N)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C34H37N5O4/c1-37(29-15-17-38(18-16-29)23-25-5-3-24(21-35)4-6-25)33(41)28-9-12-31(36-22-28)34(42)39-19-13-27(14-20-39)32(40)26-7-10-30(43-2)11-8-26/h3-12,22,27,29H,13-20,23H2,1-2H3
InChIKeyFRYJAPPODQHJRU-UHFFFAOYSA-N
MW579.70 g/mol
LogP4.43
Rot. Bonds8

About N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methylpyridine-3-carboxamide

N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methylpyridine-3-carboxamide (PubChem CID 66710664) has the molecular formula C34H37N5O4 and a molecular weight of 579.70 g/mol. Its IUPAC name is N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methylpyridine-3-carboxamide
PubChem CID66710664
Molecular FormulaC34H37N5O4
Molecular Weight579.70 g/mol
Exact Mass579.28
IUPAC NameN-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methylpyridine-3-carboxamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)N(C)C4CCN(Cc5ccc(C#N)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C34H37N5O4/c1-37(29-15-17-38(18-16-29)23-25-5-3-24(21-35)4-6-25)33(41)28-9-12-31(36-22-28)34(42)39-19-13-27(14-20-39)32(40)26-7-10-30(43-2)11-8-26/h3-12,22,27,29H,13-20,23H2,1-2H3
InChIKeyFRYJAPPODQHJRU-UHFFFAOYSA-N
XLogP4.43
TPSA106.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.70
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methylpyridine-3-carboxamide (CID 66710664) is N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methylpyridine-3-carboxamide is COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)N(C)C4CCN(Cc5ccc(C#N)cc5)CC4)cn3)CC2)cc1.
What is the InChIKey of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methylpyridine-3-carboxamide?
The InChIKey is FRYJAPPODQHJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N5O4/c1-37(29-15-17-38(18-16-29)23-25-5-3-24(21-35)4-6-25)33(41)28-9-12-31(36-22-28)34(42)39-19-13-27(14-20-39)32(40)26-7-10-30(43-2)11-8-26/h3-12,22,27,29H,13-20,23H2,1-2H3.
What are the key properties of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methylpyridine-3-carboxamide?
N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methylpyridine-3-carboxamide has a molecular weight of 579.70 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 66710664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).