N-[5-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide

C21H26N6O — CID 163356638

IUPACN-[5-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(N2CCN(c3ncnc4c3CCCC4)CC2)cn1)C1CC1
InChIInChI=1S/C21H26N6O/c28-21(15-5-6-15)25-19-8-7-16(13-22-19)26-9-11-27(12-10-26)20-17-3-1-2-4-18(17)23-14-24-20/h7-8,13-15H,1-6,9-12H2,(H,22,25,28)
InChIKeyQTUNBUHOGOPVMY-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.43
Rot. Bonds4

About N-[5-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide

N-[5-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 163356638) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[5-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID163356638
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC NameN-[5-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(N2CCN(c3ncnc4c3CCCC4)CC2)cn1)C1CC1
InChIInChI=1S/C21H26N6O/c28-21(15-5-6-15)25-19-8-7-16(13-22-19)26-9-11-27(12-10-26)20-17-3-1-2-4-18(17)23-14-24-20/h7-8,13-15H,1-6,9-12H2,(H,22,25,28)
InChIKeyQTUNBUHOGOPVMY-UHFFFAOYSA-N
XLogP2.43
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
4-[4-(bromomethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 80669482
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]oxolane-3-carboxamide
CID 86850853
N-[5-[4-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]cyclohexanecarboxamide
CID 113029443
4-[4-(4-bromophenyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 155980197
N-[5-(4-quinolin-4-ylpiperazin-1-yl)-2-pyridinyl]cyclopropanecarboxamide
CID 163357165
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-2-methylcyclopropane-1-carboxamide
CID 84583874
N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]cyclohexanecarboxamide
CID 113029109
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113024875

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide (CID 163356638) is N-[5-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide is O=C(Nc1ccc(N2CCN(c3ncnc4c3CCCC4)CC2)cn1)C1CC1.
What is the InChIKey of N-[5-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is QTUNBUHOGOPVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c28-21(15-5-6-15)25-19-8-7-16(13-22-19)26-9-11-27(12-10-26)20-17-3-1-2-4-18(17)23-14-24-20/h7-8,13-15H,1-6,9-12H2,(H,22,25,28).
What are the key properties of N-[5-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide?
N-[5-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 378.48 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 163356638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).