methyl 5-[[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylate

C16H19N5O3 — CID 124615102

IUPACmethyl 5-[[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(NC(=O)N2CC[C@H](c3cnn(C)c3)C2)c1
InChIInChI=1S/C16H19N5O3/c1-20-9-13(7-18-20)11-3-4-21(10-11)16(23)19-14-5-12(6-17-8-14)15(22)24-2/h5-9,11H,3-4,10H2,1-2H3,(H,19,23)/t11-/m0/s1
InChIKeyQFTHMUGNMUUAAL-NSHDSACASA-N
MW329.36 g/mol
LogP1.62
Rot. Bonds3

About methyl 5-[[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylate

methyl 5-[[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylate (PubChem CID 124615102) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is methyl 5-[[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylate
PubChem CID124615102
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Namemethyl 5-[[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(NC(=O)N2CC[C@H](c3cnn(C)c3)C2)c1
InChIInChI=1S/C16H19N5O3/c1-20-9-13(7-18-20)11-3-4-21(10-11)16(23)19-14-5-12(6-17-8-14)15(22)24-2/h5-9,11H,3-4,10H2,1-2H3,(H,19,23)/t11-/m0/s1
InChIKeyQFTHMUGNMUUAAL-NSHDSACASA-N
XLogP1.62
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylate with MolForge

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Related Compounds

3-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 136529661
(3S)-N-(4-acetyl-3-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124568170
N-(4-fluoro-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 136526239
5-[[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pyridine-2-carboxamide
CID 124600978
(3R)-N-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124618863
(3S)-N-(3-methoxy-2,4-dimethylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124606829
(5-bromo-3-pyridinyl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
CID 134160568
methyl 3-[[N-methyl-C-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]carbonimidoyl]amino]propanoate
CID 111742283
(3S)-N-(2-methyl-6-methylsulfanylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124617751
5-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157861
N-[(1-cyclobutylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 128633676
5-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylic acid
CID 112626767

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 5-[[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylate (CID 124615102) is methyl 5-[[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylate is COC(=O)c1cncc(NC(=O)N2CC[C@H](c3cnn(C)c3)C2)c1.
What is the InChIKey of methyl 5-[[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylate?
The InChIKey is QFTHMUGNMUUAAL-NSHDSACASA-N. The full InChI is InChI=1S/C16H19N5O3/c1-20-9-13(7-18-20)11-3-4-21(10-11)16(23)19-14-5-12(6-17-8-14)15(22)24-2/h5-9,11H,3-4,10H2,1-2H3,(H,19,23)/t11-/m0/s1.
What are the key properties of methyl 5-[[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylate?
methyl 5-[[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylate has a molecular weight of 329.36 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 124615102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).