3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-1-yl-3-pyridinyl)propanamide

C21H23N5O3 — CID 55980582

IUPAC3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-1-yl-3-pyridinyl)propanamide
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1cccnc1N1CCCCC1
InChIInChI=1S/C21H23N5O3/c27-18(23-16-8-6-11-22-19(16)25-12-4-1-5-13-25)10-14-26-17-9-3-2-7-15(17)20(28)24-21(26)29/h2-3,6-9,11H,1,4-5,10,12-14H2,(H,23,27)(H,24,28,29)
InChIKeyRUTMHDRTVBSQJI-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.10
Rot. Bonds5

About 3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-1-yl-3-pyridinyl)propanamide

3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-1-yl-3-pyridinyl)propanamide (PubChem CID 55980582) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-1-yl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-1-yl-3-pyridinyl)propanamide
PubChem CID55980582
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-1-yl-3-pyridinyl)propanamide
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1cccnc1N1CCCCC1
InChIInChI=1S/C21H23N5O3/c27-18(23-16-8-6-11-22-19(16)25-12-4-1-5-13-25)10-14-26-17-9-3-2-7-15(17)20(28)24-21(26)29/h2-3,6-9,11H,1,4-5,10,12-14H2,(H,23,27)(H,24,28,29)
InChIKeyRUTMHDRTVBSQJI-UHFFFAOYSA-N
XLogP2.10
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)propanamide
CID 17452721
N-(3-chloro-2-methylphenyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 17464541
3-(2,4-dioxoquinazolin-1-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide
CID 119439698
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 33040669
2,4-dioxo-N-(2-piperidin-1-yl-3-pyridinyl)-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 55980838
1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinazoline-2,4-dione
CID 25392952
N-(2-methyl-3-pyridinyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951489
4-hydroxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
CID 79200601
3-(2,4-dioxoquinazolin-1-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 25394121
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 25392282
N-(2-morpholin-4-yl-3-pyridinyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 60576683
N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 119566494

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-1-yl-3-pyridinyl)propanamide?
The IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-1-yl-3-pyridinyl)propanamide (CID 55980582) is 3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-1-yl-3-pyridinyl)propanamide.
What is the SMILES notation for 3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-1-yl-3-pyridinyl)propanamide?
The canonical SMILES for 3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-1-yl-3-pyridinyl)propanamide is O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1cccnc1N1CCCCC1.
What is the InChIKey of 3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-1-yl-3-pyridinyl)propanamide?
The InChIKey is RUTMHDRTVBSQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c27-18(23-16-8-6-11-22-19(16)25-12-4-1-5-13-25)10-14-26-17-9-3-2-7-15(17)20(28)24-21(26)29/h2-3,6-9,11H,1,4-5,10,12-14H2,(H,23,27)(H,24,28,29).
What are the key properties of 3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-1-yl-3-pyridinyl)propanamide?
3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-1-yl-3-pyridinyl)propanamide has a molecular weight of 393.45 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-1-yl-3-pyridinyl)propanamide is sourced from PubChem (CID 55980582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).