N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]pyridine-3-carboxamide

C22H23N5O2 — CID 113031155

IUPACN-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILESCOc1ccc(N2CCN(c3ccc(NC(=O)c4cccnc4)nc3)CC2)cc1
InChIInChI=1S/C22H23N5O2/c1-29-20-7-4-18(5-8-20)26-11-13-27(14-12-26)19-6-9-21(24-16-19)25-22(28)17-3-2-10-23-15-17/h2-10,15-16H,11-14H2,1H3,(H,24,25,28)
InChIKeyDTLHEPVUQYPKLA-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.06
Rot. Bonds5

About N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]pyridine-3-carboxamide

N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 113031155) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]pyridine-3-carboxamide
PubChem CID113031155
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILESCOc1ccc(N2CCN(c3ccc(NC(=O)c4cccnc4)nc3)CC2)cc1
InChIInChI=1S/C22H23N5O2/c1-29-20-7-4-18(5-8-20)26-11-13-27(14-12-26)19-6-9-21(24-16-19)25-22(28)17-3-2-10-23-15-17/h2-10,15-16H,11-14H2,1H3,(H,24,25,28)
InChIKeyDTLHEPVUQYPKLA-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_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[5-(azepan-1-yl)-2-pyridinyl]-4-methoxybenzamide
CID 39072257
N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide
CID 113028773
3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494679
N-[3-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55634320
N-[5-(3-methoxyphenyl)-2-pyridinyl]pyridine-3-carboxamide
CID 157371621
2-ethyl-N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]butanamide
CID 113031151
5-methoxy-N-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 142608158
N-[5-(3-methoxyanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113034083
6-methoxy-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide
CID 134053283
N-[6-[(4-methoxybenzoyl)amino]-4-methyl-3-pyridinyl]pyridine-3-carboxamide
CID 1453015
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate
CID 9045580
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-pyridin-3-ylacetamide
CID 113097945

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]pyridine-3-carboxamide (CID 113031155) is N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]pyridine-3-carboxamide is COc1ccc(N2CCN(c3ccc(NC(=O)c4cccnc4)nc3)CC2)cc1.
What is the InChIKey of N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is DTLHEPVUQYPKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-29-20-7-4-18(5-8-20)26-11-13-27(14-12-26)19-6-9-21(24-16-19)25-22(28)17-3-2-10-23-15-17/h2-10,15-16H,11-14H2,1H3,(H,24,25,28).
What are the key properties of N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]pyridine-3-carboxamide?
N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]pyridine-3-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 N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 113031155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).