methyl (3S)-3-pyridin-2-yl-3-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoate

C19H23N5O3 — CID 99787474

IUPACmethyl (3S)-3-pyridin-2-yl-3-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoate
SMILESCOC(=O)C[C@](C)(NC(=O)c1ccc(N2CCCC2)nn1)c1ccccn1
InChIInChI=1S/C19H23N5O3/c1-19(13-17(25)27-2,15-7-3-4-10-20-15)21-18(26)14-8-9-16(23-22-14)24-11-5-6-12-24/h3-4,7-10H,5-6,11-13H2,1-2H3,(H,21,26)/t19-/m0/s1
InChIKeyVJYYLRVJNMXTNW-IBGZPJMESA-N
MW369.43 g/mol
LogP1.68
Rot. Bonds6

About methyl (3S)-3-pyridin-2-yl-3-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoate

methyl (3S)-3-pyridin-2-yl-3-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoate (PubChem CID 99787474) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is methyl (3S)-3-pyridin-2-yl-3-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl (3S)-3-pyridin-2-yl-3-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoate
PubChem CID99787474
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Namemethyl (3S)-3-pyridin-2-yl-3-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoate
SMILESCOC(=O)C[C@](C)(NC(=O)c1ccc(N2CCCC2)nn1)c1ccccn1
InChIInChI=1S/C19H23N5O3/c1-19(13-17(25)27-2,15-7-3-4-10-20-15)21-18(26)14-8-9-16(23-22-14)24-11-5-6-12-24/h3-4,7-10H,5-6,11-13H2,1-2H3,(H,21,26)/t19-/m0/s1
InChIKeyVJYYLRVJNMXTNW-IBGZPJMESA-N
XLogP1.68
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl (3S)-3-pyridin-2-yl-3-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoate with MolForge

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Related Compounds

2-phenyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]propanoic acid
CID 136552822
6-(azepan-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120839
N-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109113956
N-(2-tert-butylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111813
N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109109270
N-(2,2-dimethylpent-4-enyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 122135933
N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111795
N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111816
methyl 6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyridazine-3-carboxylate
CID 133279613
N-(3,5-dimethoxyphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027738
6-piperidin-1-yl-N-(3,4,5-trimethoxyphenyl)pyridazine-3-carboxamide
CID 109112601
6-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109116486

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-pyridin-2-yl-3-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoate?
The IUPAC name of methyl (3S)-3-pyridin-2-yl-3-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoate (CID 99787474) is methyl (3S)-3-pyridin-2-yl-3-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoate.
What is the SMILES notation for methyl (3S)-3-pyridin-2-yl-3-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoate?
The canonical SMILES for methyl (3S)-3-pyridin-2-yl-3-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoate is COC(=O)C[C@](C)(NC(=O)c1ccc(N2CCCC2)nn1)c1ccccn1.
What is the InChIKey of methyl (3S)-3-pyridin-2-yl-3-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoate?
The InChIKey is VJYYLRVJNMXTNW-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23N5O3/c1-19(13-17(25)27-2,15-7-3-4-10-20-15)21-18(26)14-8-9-16(23-22-14)24-11-5-6-12-24/h3-4,7-10H,5-6,11-13H2,1-2H3,(H,21,26)/t19-/m0/s1.
What are the key properties of methyl (3S)-3-pyridin-2-yl-3-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoate?
methyl (3S)-3-pyridin-2-yl-3-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoate has a molecular weight of 369.43 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-pyridin-2-yl-3-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoate is sourced from PubChem (CID 99787474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).