N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyridin-4-ylquinoline-4-carboxamide

C22H21N5O — CID 72837727

IUPACN-[3-(1-methylpyrazol-4-yl)propyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCn1cc(CCCNC(=O)c2cc(-c3ccncc3)nc3ccccc23)cn1
InChIInChI=1S/C22H21N5O/c1-27-15-16(14-25-27)5-4-10-24-22(28)19-13-21(17-8-11-23-12-9-17)26-20-7-3-2-6-18(19)20/h2-3,6-9,11-15H,4-5,10H2,1H3,(H,24,28)
InChIKeyGWOJFMVRFNQTBN-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.39
Rot. Bonds6

About N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyridin-4-ylquinoline-4-carboxamide

N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 72837727) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1-methylpyrazol-4-yl)propyl]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID72837727
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-[3-(1-methylpyrazol-4-yl)propyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCn1cc(CCCNC(=O)c2cc(-c3ccncc3)nc3ccccc23)cn1
InChIInChI=1S/C22H21N5O/c1-27-15-16(14-25-27)5-4-10-24-22(28)19-13-21(17-8-11-23-12-9-17)26-20-7-3-2-6-18(19)20/h2-3,6-9,11-15H,4-5,10H2,1H3,(H,24,28)
InChIKeyGWOJFMVRFNQTBN-UHFFFAOYSA-N
XLogP3.39
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19513012
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
N-[(1-methylpyrazol-4-yl)methyl]-2-(4-propylphenyl)quinoline-4-carboxamide
CID 1257098
N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4077298
2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide
CID 19513031
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72923146
2-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]quinoline-4-carboxamide
CID 51083364
N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518443
N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749438
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3457681
N-[3-(4-hydroxyphenyl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 86972801

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyridin-4-ylquinoline-4-carboxamide (CID 72837727) is N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyridin-4-ylquinoline-4-carboxamide is Cn1cc(CCCNC(=O)c2cc(-c3ccncc3)nc3ccccc23)cn1.
What is the InChIKey of N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is GWOJFMVRFNQTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-27-15-16(14-25-27)5-4-10-24-22(28)19-13-21(17-8-11-23-12-9-17)26-20-7-3-2-6-18(19)20/h2-3,6-9,11-15H,4-5,10H2,1H3,(H,24,28).
What are the key properties of N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyridin-4-ylquinoline-4-carboxamide?
N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 72837727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).