N-[5-(4-quinolin-4-ylpiperazin-1-yl)-2-pyridinyl]cyclopropanecarboxamide

C22H23N5O — CID 163357165

IUPACN-[5-(4-quinolin-4-ylpiperazin-1-yl)-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(N2CCN(c3ccnc4ccccc34)CC2)cn1)C1CC1
InChIInChI=1S/C22H23N5O/c28-22(16-5-6-16)25-21-8-7-17(15-24-21)26-11-13-27(14-12-26)20-9-10-23-19-4-2-1-3-18(19)20/h1-4,7-10,15-16H,5-6,11-14H2,(H,24,25,28)
InChIKeyVZCANIACYZYCIC-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.30
Rot. Bonds4

About N-[5-(4-quinolin-4-ylpiperazin-1-yl)-2-pyridinyl]cyclopropanecarboxamide

N-[5-(4-quinolin-4-ylpiperazin-1-yl)-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 163357165) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[5-(4-quinolin-4-ylpiperazin-1-yl)-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(4-quinolin-4-ylpiperazin-1-yl)-2-pyridinyl]cyclopropanecarboxamide
PubChem CID163357165
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-[5-(4-quinolin-4-ylpiperazin-1-yl)-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(N2CCN(c3ccnc4ccccc34)CC2)cn1)C1CC1
InChIInChI=1S/C22H23N5O/c28-22(16-5-6-16)25-21-8-7-17(15-24-21)26-11-13-27(14-12-26)20-9-10-23-19-4-2-1-3-18(19)20/h1-4,7-10,15-16H,5-6,11-14H2,(H,24,25,28)
InChIKeyVZCANIACYZYCIC-UHFFFAOYSA-N
XLogP3.30
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 75420475
N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide
CID 113031088
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide
CID 84583872
N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113029655
1-(1-quinolin-4-ylpiperidin-4-yl)ethanone
CID 63845490
1-(naphthalene-1-carbonyl)-N-(5-piperidin-1-yl-2-pyridinyl)piperidine-4-carboxamide
CID 71895394
N-tert-butyl-1-quinolin-4-ylpyrrolidine-3-carboxamide
CID 155800306
N-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide
CID 113028796
N-[5-[4-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]cyclohexanecarboxamide
CID 113029443
N-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]oxane-4-carboxamide
CID 113029548
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-2-methylcyclopropane-1-carboxamide
CID 84583874
(3R)-N-(5-morpholin-4-yl-2-pyridinyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 93276407

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-quinolin-4-ylpiperazin-1-yl)-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(4-quinolin-4-ylpiperazin-1-yl)-2-pyridinyl]cyclopropanecarboxamide (CID 163357165) is N-[5-(4-quinolin-4-ylpiperazin-1-yl)-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(4-quinolin-4-ylpiperazin-1-yl)-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(4-quinolin-4-ylpiperazin-1-yl)-2-pyridinyl]cyclopropanecarboxamide is O=C(Nc1ccc(N2CCN(c3ccnc4ccccc34)CC2)cn1)C1CC1.
What is the InChIKey of N-[5-(4-quinolin-4-ylpiperazin-1-yl)-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is VZCANIACYZYCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c28-22(16-5-6-16)25-21-8-7-17(15-24-21)26-11-13-27(14-12-26)20-9-10-23-19-4-2-1-3-18(19)20/h1-4,7-10,15-16H,5-6,11-14H2,(H,24,25,28).
What are the key properties of N-[5-(4-quinolin-4-ylpiperazin-1-yl)-2-pyridinyl]cyclopropanecarboxamide?
N-[5-(4-quinolin-4-ylpiperazin-1-yl)-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-quinolin-4-ylpiperazin-1-yl)-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 163357165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).