(4R)-1-(cyclopropylmethyl)-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one

C18H25N5O2 — CID 95312317

IUPAC(4R)-1-(cyclopropylmethyl)-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCC(Nc3cccnn3)CC2)CN1CC1CC1
InChIInChI=1S/C18H25N5O2/c24-17-10-14(12-23(17)11-13-3-4-13)18(25)22-8-5-15(6-9-22)20-16-2-1-7-19-21-16/h1-2,7,13-15H,3-6,8-12H2,(H,20,21)/t14-/m1/s1
InChIKeyPRKVAKLMMUPFEX-CQSZACIVSA-N
MW343.43 g/mol
LogP1.14
Rot. Bonds5

About (4R)-1-(cyclopropylmethyl)-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one

(4R)-1-(cyclopropylmethyl)-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 95312317) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (4R)-1-(cyclopropylmethyl)-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(cyclopropylmethyl)-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID95312317
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(4R)-1-(cyclopropylmethyl)-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCC(Nc3cccnn3)CC2)CN1CC1CC1
InChIInChI=1S/C18H25N5O2/c24-17-10-14(12-23(17)11-13-3-4-13)18(25)22-8-5-15(6-9-22)20-16-2-1-7-19-21-16/h1-2,7,13-15H,3-6,8-12H2,(H,20,21)/t14-/m1/s1
InChIKeyPRKVAKLMMUPFEX-CQSZACIVSA-N
XLogP1.14
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-1-cyclopropyl-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95601738
piperidin-3-yl-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 119879720
[4-(pyridazin-3-ylamino)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 119879739
(4S)-1-(cyclopropylmethyl)-4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95158276
(4R)-1-(cyclopropylmethyl)-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95158273
(4,4-difluoropyrrolidin-2-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone;hydrochloride
CID 120954788
1-benzyl-4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119623169
4-(methylamino)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one
CID 119879728
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
CID 95313391
(2S)-2-(2,5-dimethylpyrrol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 95331691
(4R)-1-(cyclopropylmethyl)-4-[(2R)-2-pyridin-4-ylazepane-1-carbonyl]pyrrolidin-2-one
CID 97084977
(4S)-1-(cyclopropylmethyl)-4-[(2R)-2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95353523

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(cyclopropylmethyl)-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(cyclopropylmethyl)-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one (CID 95312317) is (4R)-1-(cyclopropylmethyl)-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(cyclopropylmethyl)-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(cyclopropylmethyl)-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one is O=C1C[C@@H](C(=O)N2CCC(Nc3cccnn3)CC2)CN1CC1CC1.
What is the InChIKey of (4R)-1-(cyclopropylmethyl)-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is PRKVAKLMMUPFEX-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N5O2/c24-17-10-14(12-23(17)11-13-3-4-13)18(25)22-8-5-15(6-9-22)20-16-2-1-7-19-21-16/h1-2,7,13-15H,3-6,8-12H2,(H,20,21)/t14-/m1/s1.
What are the key properties of (4R)-1-(cyclopropylmethyl)-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-(cyclopropylmethyl)-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 343.43 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(cyclopropylmethyl)-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 95312317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).