N-(5-chloro-2-pyridinyl)-1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperidine-3-carboxamide

C25H26ClN5O3 — CID 55930625

IUPACN-(5-chloro-2-pyridinyl)-1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCCN(C(=O)CCc2nc3ccccc3c(=O)n2C2CC2)C1
InChIInChI=1S/C25H26ClN5O3/c26-17-7-10-21(27-14-17)29-24(33)16-4-3-13-30(15-16)23(32)12-11-22-28-20-6-2-1-5-19(20)25(34)31(22)18-8-9-18/h1-2,5-7,10,14,16,18H,3-4,8-9,11-13,15H2,(H,27,29,33)
InChIKeyKUEQUUAKLJYVDY-UHFFFAOYSA-N
MW479.97 g/mol
LogP3.59
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperidine-3-carboxamide

N-(5-chloro-2-pyridinyl)-1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperidine-3-carboxamide (PubChem CID 55930625) has the molecular formula C25H26ClN5O3 and a molecular weight of 479.97 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperidine-3-carboxamide
PubChem CID55930625
Molecular FormulaC25H26ClN5O3
Molecular Weight479.97 g/mol
Exact Mass479.17
IUPAC NameN-(5-chloro-2-pyridinyl)-1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCCN(C(=O)CCc2nc3ccccc3c(=O)n2C2CC2)C1
InChIInChI=1S/C25H26ClN5O3/c26-17-7-10-21(27-14-17)29-24(33)16-4-3-13-30(15-16)23(32)12-11-22-28-20-6-2-1-5-19(20)25(34)31(22)18-8-9-18/h1-2,5-7,10,14,16,18H,3-4,8-9,11-13,15H2,(H,27,29,33)
InChIKeyKUEQUUAKLJYVDY-UHFFFAOYSA-N
XLogP3.59
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.97
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-2-pyridinyl)-1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55961178
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate
CID 42917087
1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856461
N-(5-chloro-2-pyridinyl)-1-(3-indol-1-ylpropanoyl)piperidine-3-carboxamide
CID 55930887
1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 119856460
N-(5-chloro-2-pyridinyl)-1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide
CID 55815661
N-(5-chloro-2-pyridinyl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-3-carboxamide
CID 55815418
1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 60565468
1-(1-aminocyclopropanecarbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856459
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid
CID 7131753
2-[4-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55447006
1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55812737

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperidine-3-carboxamide (CID 55930625) is N-(5-chloro-2-pyridinyl)-1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperidine-3-carboxamide is O=C(Nc1ccc(Cl)cn1)C1CCCN(C(=O)CCc2nc3ccccc3c(=O)n2C2CC2)C1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperidine-3-carboxamide?
The InChIKey is KUEQUUAKLJYVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O3/c26-17-7-10-21(27-14-17)29-24(33)16-4-3-13-30(15-16)23(32)12-11-22-28-20-6-2-1-5-19(20)25(34)31(22)18-8-9-18/h1-2,5-7,10,14,16,18H,3-4,8-9,11-13,15H2,(H,27,29,33).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperidine-3-carboxamide?
N-(5-chloro-2-pyridinyl)-1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperidine-3-carboxamide has a molecular weight of 479.97 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 55930625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).