N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide

C23H21N5O — CID 72923146

IUPACN-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCn1cc(CN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)C2CC2)cn1
InChIInChI=1S/C23H21N5O/c1-27-14-16(13-25-27)15-28(18-6-7-18)23(29)20-12-22(17-8-10-24-11-9-17)26-21-5-3-2-4-19(20)21/h2-5,8-14,18H,6-7,15H2,1H3
InChIKeyTVSPVUBFVIBRRI-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.84
Rot. Bonds5

About N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide

N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 72923146) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID72923146
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC NameN-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCn1cc(CN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)C2CC2)cn1
InChIInChI=1S/C23H21N5O/c1-27-14-16(13-25-27)15-28(18-6-7-18)23(29)20-12-22(17-8-10-24-11-9-17)26-21-5-3-2-4-19(20)21/h2-5,8-14,18H,6-7,15H2,1H3
InChIKeyTVSPVUBFVIBRRI-UHFFFAOYSA-N
XLogP3.84
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide with MolForge

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Related Compounds

N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72837727
N-cyclopentyl-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 51268285
N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
CID 112795169
2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19513012
N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72939169
N-[(1-methylpyrazol-4-yl)methyl]-2-(4-propylphenyl)quinoline-4-carboxamide
CID 1257098
N-cyclopropyl-3-methyl-6-phenyl-N-(pyridin-4-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 47785560
N-(2-methoxypropyl)-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 166200011
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate
CID 7017781
[2-(cyclopropylamino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 23990884
2-phenyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide
CID 119826187

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide (CID 72923146) is N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide is Cn1cc(CN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)C2CC2)cn1.
What is the InChIKey of N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is TVSPVUBFVIBRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-27-14-16(13-25-27)15-28(18-6-7-18)23(29)20-12-22(17-8-10-24-11-9-17)26-21-5-3-2-4-19(20)21/h2-5,8-14,18H,6-7,15H2,1H3.
What are the key properties of N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 72923146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).