N-[1-[[4-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide

C35H41N5O5 — CID 66710509

IUPACN-[1-[[4-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(C(=O)N(C)C)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C35H41N5O5/c1-38(2)34(43)27-6-4-24(5-7-27)23-39-18-16-29(17-19-39)37-33(42)28-10-13-31(36-22-28)35(44)40-20-14-26(15-21-40)32(41)25-8-11-30(45-3)12-9-25/h4-13,22,26,29H,14-21,23H2,1-3H3,(H,37,42)
InChIKeyMJFMCJRNWDTCIF-UHFFFAOYSA-N
MW611.74 g/mol
LogP3.92
Rot. Bonds9

About N-[1-[[4-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide

N-[1-[[4-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide (PubChem CID 66710509) has the molecular formula C35H41N5O5 and a molecular weight of 611.74 g/mol. Its IUPAC name is N-[1-[[4-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
PubChem CID66710509
Molecular FormulaC35H41N5O5
Molecular Weight611.74 g/mol
Exact Mass611.31
IUPAC NameN-[1-[[4-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(C(=O)N(C)C)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C35H41N5O5/c1-38(2)34(43)27-6-4-24(5-7-27)23-39-18-16-29(17-19-39)37-33(42)28-10-13-31(36-22-28)35(44)40-20-14-26(15-21-40)32(41)25-8-11-30(45-3)12-9-25/h4-13,22,26,29H,14-21,23H2,1-3H3,(H,37,42)
InChIKeyMJFMCJRNWDTCIF-UHFFFAOYSA-N
XLogP3.92
TPSA112.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.74
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[[4-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide (CID 66710509) is N-[1-[[4-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[[4-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[[4-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide is COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(C(=O)N(C)C)cc5)CC4)cn3)CC2)cc1.
What is the InChIKey of N-[1-[[4-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
The InChIKey is MJFMCJRNWDTCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N5O5/c1-38(2)34(43)27-6-4-24(5-7-27)23-39-18-16-29(17-19-39)37-33(42)28-10-13-31(36-22-28)35(44)40-20-14-26(15-21-40)32(41)25-8-11-30(45-3)12-9-25/h4-13,22,26,29H,14-21,23H2,1-3H3,(H,37,42).
What are the key properties of N-[1-[[4-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
N-[1-[[4-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide has a molecular weight of 611.74 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide is sourced from PubChem (CID 66710509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).