1-methyl-6-oxo-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-4,5-dihydropyridazine-3-carboxamide

C18H24N4O2 — CID 95094303

IUPAC1-methyl-6-oxo-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-4,5-dihydropyridazine-3-carboxamide
SMILESC[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C2=NN(C)C(=O)CC2)C1
InChIInChI=1S/C18H24N4O2/c1-13(14-6-4-3-5-7-14)22-11-10-15(12-22)19-18(24)16-8-9-17(23)21(2)20-16/h3-7,13,15H,8-12H2,1-2H3,(H,19,24)/t13-,15+/m0/s1
InChIKeyIEGNNORQJAHHQV-DZGCQCFKSA-N
MW328.42 g/mol
LogP1.55
Rot. Bonds4

About 1-methyl-6-oxo-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-4,5-dihydropyridazine-3-carboxamide

1-methyl-6-oxo-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-4,5-dihydropyridazine-3-carboxamide (PubChem CID 95094303) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-4,5-dihydropyridazine-3-carboxamide
PubChem CID95094303
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-methyl-6-oxo-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-4,5-dihydropyridazine-3-carboxamide
SMILESC[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C2=NN(C)C(=O)CC2)C1
InChIInChI=1S/C18H24N4O2/c1-13(14-6-4-3-5-7-14)22-11-10-15(12-22)19-18(24)16-8-9-17(23)21(2)20-16/h3-7,13,15H,8-12H2,1-2H3,(H,19,24)/t13-,15+/m0/s1
InChIKeyIEGNNORQJAHHQV-DZGCQCFKSA-N
XLogP1.55
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-benzylpyrrolidin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 94174293
2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 94197653
2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 47070507
1-oxido-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridin-1-ium-2-carboxamide
CID 95094293
N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide
CID 94536296
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 94536313
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
6-oxo-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1H-pyridine-3-carboxamide
CID 94536258
1-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 38041767
3-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]furan-2-carboxamide
CID 51091908
N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide
CID 75834351
(2R)-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-phenylacetic acid
CID 61143499

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-4,5-dihydropyridazine-3-carboxamide (CID 95094303) is 1-methyl-6-oxo-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-4,5-dihydropyridazine-3-carboxamide is C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C2=NN(C)C(=O)CC2)C1.
What is the InChIKey of 1-methyl-6-oxo-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is IEGNNORQJAHHQV-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13(14-6-4-3-5-7-14)22-11-10-15(12-22)19-18(24)16-8-9-17(23)21(2)20-16/h3-7,13,15H,8-12H2,1-2H3,(H,19,24)/t13-,15+/m0/s1.
What are the key properties of 1-methyl-6-oxo-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-4,5-dihydropyridazine-3-carboxamide?
1-methyl-6-oxo-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 95094303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).