N-[5-(4-cyanophenoxy)-2-pyridinyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide

C32H27N5O5 — CID 66710779

IUPACN-[5-(4-cyanophenoxy)-2-pyridinyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)Nc4ccc(Oc5ccc(C#N)cc5)cn4)cn3)CC2)cc1
InChIInChI=1S/C32H27N5O5/c1-41-25-9-4-22(5-10-25)30(38)23-14-16-37(17-15-23)32(40)28-12-6-24(19-34-28)31(39)36-29-13-11-27(20-35-29)42-26-7-2-21(18-33)3-8-26/h2-13,19-20,23H,14-17H2,1H3,(H,35,36,39)
InChIKeyMHVPPJHUAXVIGF-UHFFFAOYSA-N
MW561.60 g/mol
LogP5.14
Rot. Bonds8

About N-[5-(4-cyanophenoxy)-2-pyridinyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide

N-[5-(4-cyanophenoxy)-2-pyridinyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide (PubChem CID 66710779) has the molecular formula C32H27N5O5 and a molecular weight of 561.60 g/mol. Its IUPAC name is N-[5-(4-cyanophenoxy)-2-pyridinyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(4-cyanophenoxy)-2-pyridinyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
PubChem CID66710779
Molecular FormulaC32H27N5O5
Molecular Weight561.60 g/mol
Exact Mass561.20
IUPAC NameN-[5-(4-cyanophenoxy)-2-pyridinyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)Nc4ccc(Oc5ccc(C#N)cc5)cn4)cn3)CC2)cc1
InChIInChI=1S/C32H27N5O5/c1-41-25-9-4-22(5-10-25)30(38)23-14-16-37(17-15-23)32(40)28-12-6-24(19-34-28)31(39)36-29-13-11-27(20-35-29)42-26-7-2-21(18-33)3-8-26/h2-13,19-20,23H,14-17H2,1H3,(H,35,36,39)
InChIKeyMHVPPJHUAXVIGF-UHFFFAOYSA-N
XLogP5.14
TPSA134.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.60
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-cyanophenoxy)-2-pyridinyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
The IUPAC name of N-[5-(4-cyanophenoxy)-2-pyridinyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide (CID 66710779) is N-[5-(4-cyanophenoxy)-2-pyridinyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(4-cyanophenoxy)-2-pyridinyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-(4-cyanophenoxy)-2-pyridinyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide is COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)Nc4ccc(Oc5ccc(C#N)cc5)cn4)cn3)CC2)cc1.
What is the InChIKey of N-[5-(4-cyanophenoxy)-2-pyridinyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
The InChIKey is MHVPPJHUAXVIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N5O5/c1-41-25-9-4-22(5-10-25)30(38)23-14-16-37(17-15-23)32(40)28-12-6-24(19-34-28)31(39)36-29-13-11-27(20-35-29)42-26-7-2-21(18-33)3-8-26/h2-13,19-20,23H,14-17H2,1H3,(H,35,36,39).
What are the key properties of N-[5-(4-cyanophenoxy)-2-pyridinyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
N-[5-(4-cyanophenoxy)-2-pyridinyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide has a molecular weight of 561.60 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-cyanophenoxy)-2-pyridinyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide is sourced from PubChem (CID 66710779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).