N-[5-cyano-2-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide

C25H26N6O3 — CID 149264745

IUPACN-[5-cyano-2-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ccc(CN2CCN(c3ccc(C#N)cc3NC(=O)c3cccnc3OC)CC2)nc1
InChIInChI=1S/C25H26N6O3/c1-33-20-7-6-19(28-16-20)17-30-10-12-31(13-11-30)23-8-5-18(15-26)14-22(23)29-24(32)21-4-3-9-27-25(21)34-2/h3-9,14,16H,10-13,17H2,1-2H3,(H,29,32)
InChIKeyXPXQEYCHUBUXLM-UHFFFAOYSA-N
MW458.52 g/mol
LogP2.94
Rot. Bonds7

About N-[5-cyano-2-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide

N-[5-cyano-2-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide (PubChem CID 149264745) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-[5-cyano-2-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-2-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide
PubChem CID149264745
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC NameN-[5-cyano-2-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ccc(CN2CCN(c3ccc(C#N)cc3NC(=O)c3cccnc3OC)CC2)nc1
InChIInChI=1S/C25H26N6O3/c1-33-20-7-6-19(28-16-20)17-30-10-12-31(13-11-30)23-8-5-18(15-26)14-22(23)29-24(32)21-4-3-9-27-25(21)34-2/h3-9,14,16H,10-13,17H2,1-2H3,(H,29,32)
InChIKeyXPXQEYCHUBUXLM-UHFFFAOYSA-N
XLogP2.94
TPSA103.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-cyano-2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide
CID 151138887
N-[5-cyano-2-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide
CID 151665473
N-[5-cyano-2-[4-[(2Z,4E,6Z)-3,5-difluoroocta-2,4,6-trienoyl]piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide
CID 170175892
N-(5-cyano-2-methylphenyl)-2-methoxypyridine-3-carboxamide
CID 62060853
N-(3-cyanophenyl)-2-methoxypyridine-3-carboxamide
CID 55023858
N-[5-cyano-2-[4-[(5-cyano-2-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 150818561
2-ethoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 18189885
N-(2,4-difluorophenyl)-2-methoxypyridine-3-carboxamide
CID 2819487
N-[2-[4-[(4-chloro-2-fluorophenyl)methyl]piperazin-1-yl]-5-cyano-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 151329422
N-[5-cyano-2-[4-[(3-cyano-4-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 135349243
N-(2,4-dimethoxyphenyl)-2-ethoxypyridine-3-carboxamide
CID 2110255
N-[2-(hydroxymethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 61497876

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-2-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[5-cyano-2-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide (CID 149264745) is N-[5-cyano-2-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[5-cyano-2-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[5-cyano-2-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide is COc1ccc(CN2CCN(c3ccc(C#N)cc3NC(=O)c3cccnc3OC)CC2)nc1.
What is the InChIKey of N-[5-cyano-2-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is XPXQEYCHUBUXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-33-20-7-6-19(28-16-20)17-30-10-12-31(13-11-30)23-8-5-18(15-26)14-22(23)29-24(32)21-4-3-9-27-25(21)34-2/h3-9,14,16H,10-13,17H2,1-2H3,(H,29,32).
What are the key properties of N-[5-cyano-2-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide?
N-[5-cyano-2-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-2-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 149264745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).