N-cyclopentyl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propanamide

C25H30N6O — CID 133287736

IUPACN-cyclopentyl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CCCC1)N1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1
InChIInChI=1S/C25H30N6O/c1-18(25(32)27-20-8-2-3-9-20)30-13-15-31(16-14-30)24-21-10-4-5-11-22(21)28-23(29-24)19-7-6-12-26-17-19/h4-7,10-12,17-18,20H,2-3,8-9,13-16H2,1H3,(H,27,32)
InChIKeyBWPKJXUHPQZEGD-UHFFFAOYSA-N
MW430.56 g/mol
LogP3.26
Rot. Bonds5

About N-cyclopentyl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propanamide

N-cyclopentyl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propanamide (PubChem CID 133287736) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propanamide
PubChem CID133287736
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC NameN-cyclopentyl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CCCC1)N1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1
InChIInChI=1S/C25H30N6O/c1-18(25(32)27-20-8-2-3-9-20)30-13-15-31(16-14-30)24-21-10-4-5-11-22(21)28-23(29-24)19-7-6-12-26-17-19/h4-7,10-12,17-18,20H,2-3,8-9,13-16H2,1H3,(H,27,32)
InChIKeyBWPKJXUHPQZEGD-UHFFFAOYSA-N
XLogP3.26
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propan-1-ol
CID 95762506
phenyl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone
CID 2480686
(1-methylimidazol-2-yl)-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]methanol
CID 133395870
ethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-carboxylate
CID 4880874
N-phenyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-amine
CID 133363141
N-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-4-yl]acetamide
CID 49431018
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-cyclopentylpropanamide
CID 134031843
(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 94661500
4-(2-pyridin-3-ylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 133287442
2-pyridin-3-yl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]quinazoline
CID 2540547
2-[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 133349720
1-[3-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 133286263

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopentyl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propanamide (CID 133287736) is N-cyclopentyl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopentyl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propanamide is CC(C(=O)NC1CCCC1)N1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1.
What is the InChIKey of N-cyclopentyl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propanamide?
The InChIKey is BWPKJXUHPQZEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-18(25(32)27-20-8-2-3-9-20)30-13-15-31(16-14-30)24-21-10-4-5-11-22(21)28-23(29-24)19-7-6-12-26-17-19/h4-7,10-12,17-18,20H,2-3,8-9,13-16H2,1H3,(H,27,32).
What are the key properties of N-cyclopentyl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propanamide?
N-cyclopentyl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propanamide has a molecular weight of 430.56 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 133287736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).