(2R)-1-(cyclohexanecarbonyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]pyrrolidine-2-carboxamide

C22H26N4O3 — CID 52538335

IUPAC(2R)-1-(cyclohexanecarbonyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)[C@H]1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C22H26N4O3/c27-20-12-11-18(24-25-20)16-8-4-9-17(14-16)23-21(28)19-10-5-13-26(19)22(29)15-6-2-1-3-7-15/h4,8-9,11-12,14-15,19H,1-3,5-7,10,13H2,(H,23,28)(H,25,27)/t19-/m1/s1
InChIKeyGKIXZLPNOPYXPD-LJQANCHMSA-N
MW394.48 g/mol
LogP2.95
Rot. Bonds4

About (2R)-1-(cyclohexanecarbonyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]pyrrolidine-2-carboxamide

(2R)-1-(cyclohexanecarbonyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 52538335) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is (2R)-1-(cyclohexanecarbonyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(cyclohexanecarbonyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID52538335
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name(2R)-1-(cyclohexanecarbonyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)[C@H]1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C22H26N4O3/c27-20-12-11-18(24-25-20)16-8-4-9-17(14-16)23-21(28)19-10-5-13-26(19)22(29)15-6-2-1-3-7-15/h4,8-9,11-12,14-15,19H,1-3,5-7,10,13H2,(H,23,28)(H,25,27)/t19-/m1/s1
InChIKeyGKIXZLPNOPYXPD-LJQANCHMSA-N
XLogP2.95
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(cyclohexanecarbonyl)-N-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2-carboxamide
CID 95350172
N-(3-bromophenyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
CID 55741021
1-acetyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-4-carboxamide
CID 49034903
N-(4-anilinophenyl)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxamide
CID 166197699
2-cyclopentyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 51100304
(1R,2R,4S)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98140080
1-(cyclohexanecarbonyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 55741414
1-acetyl-N-[4-[3-[4-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]-1H-pyrazol-5-yl]phenyl]pyrrolidine-2-carboxamide
CID 172736681
1-(cyclohexanecarbonyl)-N-(6-pyrazol-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 55762135
1-(2-methylpropanoyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide
CID 45208616
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 55630584
(2S)-1-(cyclohexanecarbonyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide
CID 51951158

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(cyclohexanecarbonyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(cyclohexanecarbonyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]pyrrolidine-2-carboxamide (CID 52538335) is (2R)-1-(cyclohexanecarbonyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(cyclohexanecarbonyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(cyclohexanecarbonyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)[C@H]1CCCN1C(=O)C1CCCCC1.
What is the InChIKey of (2R)-1-(cyclohexanecarbonyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is GKIXZLPNOPYXPD-LJQANCHMSA-N. The full InChI is InChI=1S/C22H26N4O3/c27-20-12-11-18(24-25-20)16-8-4-9-17(14-16)23-21(28)19-10-5-13-26(19)22(29)15-6-2-1-3-7-15/h4,8-9,11-12,14-15,19H,1-3,5-7,10,13H2,(H,23,28)(H,25,27)/t19-/m1/s1.
What are the key properties of (2R)-1-(cyclohexanecarbonyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]pyrrolidine-2-carboxamide?
(2R)-1-(cyclohexanecarbonyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(cyclohexanecarbonyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 52538335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).