4-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidin-3-yl]oxypyridine-2-carboxamide

C16H17N5O4 — CID 129354873

IUPAC4-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidin-3-yl]oxypyridine-2-carboxamide
SMILESCn1nc(C(=O)N2CC[C@H](Oc3ccnc(C(N)=O)c3)C2)ccc1=O
InChIInChI=1S/C16H17N5O4/c1-20-14(22)3-2-12(19-20)16(24)21-7-5-11(9-21)25-10-4-6-18-13(8-10)15(17)23/h2-4,6,8,11H,5,7,9H2,1H3,(H2,17,23)/t11-/m0/s1
InChIKeyBBTCYZACIJJIDU-NSHDSACASA-N
MW343.34 g/mol
LogP-0.43
Rot. Bonds4

About 4-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidin-3-yl]oxypyridine-2-carboxamide

4-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidin-3-yl]oxypyridine-2-carboxamide (PubChem CID 129354873) has the molecular formula C16H17N5O4 and a molecular weight of 343.34 g/mol. Its IUPAC name is 4-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidin-3-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidin-3-yl]oxypyridine-2-carboxamide
PubChem CID129354873
Molecular FormulaC16H17N5O4
Molecular Weight343.34 g/mol
Exact Mass343.13
IUPAC Name4-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidin-3-yl]oxypyridine-2-carboxamide
SMILESCn1nc(C(=O)N2CC[C@H](Oc3ccnc(C(N)=O)c3)C2)ccc1=O
InChIInChI=1S/C16H17N5O4/c1-20-14(22)3-2-12(19-20)16(24)21-7-5-11(9-21)25-10-4-6-18-13(8-10)15(17)23/h2-4,6,8,11H,5,7,9H2,1H3,(H2,17,23)/t11-/m0/s1
InChIKeyBBTCYZACIJJIDU-NSHDSACASA-N
XLogP-0.43
TPSA120.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidin-3-yl]oxypyridine-2-carboxamide with MolForge

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Related Compounds

2-methyl-6-(3-pyridin-4-yloxypiperidine-1-carbonyl)pyridazin-3-one
CID 121017957
6-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 154841006
3-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100754469
6-[3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
CID 126852374
methyl 4-[3-[(2-carbamoyl-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate
CID 122256644
6-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
CID 121197470
4-[1-(4-fluorobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256712
4-[1-(4-bromobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256718
4-[1-(1-acetylpiperidine-4-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256655
4-[1-(2,6-difluorobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256720
4-[1-(1,2-oxazole-5-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256598
4-(1-butanoylpiperidin-3-yl)oxypyridine-2-carboxamide
CID 122256660

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidin-3-yl]oxypyridine-2-carboxamide?
The IUPAC name of 4-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidin-3-yl]oxypyridine-2-carboxamide (CID 129354873) is 4-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidin-3-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for 4-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidin-3-yl]oxypyridine-2-carboxamide?
The canonical SMILES for 4-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidin-3-yl]oxypyridine-2-carboxamide is Cn1nc(C(=O)N2CC[C@H](Oc3ccnc(C(N)=O)c3)C2)ccc1=O.
What is the InChIKey of 4-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidin-3-yl]oxypyridine-2-carboxamide?
The InChIKey is BBTCYZACIJJIDU-NSHDSACASA-N. The full InChI is InChI=1S/C16H17N5O4/c1-20-14(22)3-2-12(19-20)16(24)21-7-5-11(9-21)25-10-4-6-18-13(8-10)15(17)23/h2-4,6,8,11H,5,7,9H2,1H3,(H2,17,23)/t11-/m0/s1.
What are the key properties of 4-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidin-3-yl]oxypyridine-2-carboxamide?
4-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidin-3-yl]oxypyridine-2-carboxamide has a molecular weight of 343.34 g/mol, XLogP of -0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidin-3-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 129354873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).