5-methoxy-N-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]pyridine-2-carboxamide

C22H23N5O2 — CID 142608158

IUPAC5-methoxy-N-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCN(c4cccnc4)CC3)cc2)nc1
InChIInChI=1S/C22H23N5O2/c1-29-20-8-9-21(24-16-20)22(28)25-17-4-6-18(7-5-17)26-11-13-27(14-12-26)19-3-2-10-23-15-19/h2-10,15-16H,11-14H2,1H3,(H,25,28)
InChIKeyAYGDNIWWZVZHDJ-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.06
Rot. Bonds5

About 5-methoxy-N-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]pyridine-2-carboxamide

5-methoxy-N-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]pyridine-2-carboxamide (PubChem CID 142608158) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 5-methoxy-N-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
PubChem CID142608158
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name5-methoxy-N-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCN(c4cccnc4)CC3)cc2)nc1
InChIInChI=1S/C22H23N5O2/c1-29-20-8-9-21(24-16-20)22(28)25-17-4-6-18(7-5-17)26-11-13-27(14-12-26)19-3-2-10-23-15-19/h2-10,15-16H,11-14H2,1H3,(H,25,28)
InChIKeyAYGDNIWWZVZHDJ-UHFFFAOYSA-N
XLogP3.06
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(4-cyanophenyl)piperazin-1-yl]phenyl]-5-methoxypyridine-2-carboxamide
CID 142608157
5-(azepan-1-yl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109196895
N-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109215246
N-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109199887
N-(4-chlorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193461
N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 113031155
5-morpholin-4-yl-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109184886
5-(azepan-1-yl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109196897
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
N'-(4-methoxyphenyl)-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]oxamide
CID 22517357
N-[4-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]phenyl]carbamate
CID 19032426
N-(3-methoxyphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109285572

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-methoxy-N-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]pyridine-2-carboxamide (CID 142608158) is 5-methoxy-N-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-methoxy-N-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]pyridine-2-carboxamide is COc1ccc(C(=O)Nc2ccc(N3CCN(c4cccnc4)CC3)cc2)nc1.
What is the InChIKey of 5-methoxy-N-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is AYGDNIWWZVZHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-29-20-8-9-21(24-16-20)22(28)25-17-4-6-18(7-5-17)26-11-13-27(14-12-26)19-3-2-10-23-15-19/h2-10,15-16H,11-14H2,1H3,(H,25,28).
What are the key properties of 5-methoxy-N-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]pyridine-2-carboxamide?
5-methoxy-N-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 142608158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).