N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide

C18H18N6O2 — CID 121374858

IUPACN-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cc(N3CC[C@@](C#N)(C4CC4)C3=O)ccn2)cn1
InChIInChI=1S/C18H18N6O2/c1-23-10-12(9-21-23)16(25)22-15-8-14(4-6-20-15)24-7-5-18(11-19,17(24)26)13-2-3-13/h4,6,8-10,13H,2-3,5,7H2,1H3,(H,20,22,25)/t18-/m1/s1
InChIKeyHBGZXAAZZBXZQA-GOSISDBHSA-N
MW350.38 g/mol
LogP1.72
Rot. Bonds4

About N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide

N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide (PubChem CID 121374858) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide
PubChem CID121374858
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC NameN-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cc(N3CC[C@@](C#N)(C4CC4)C3=O)ccn2)cn1
InChIInChI=1S/C18H18N6O2/c1-23-10-12(9-21-23)16(25)22-15-8-14(4-6-20-15)24-7-5-18(11-19,17(24)26)13-2-3-13/h4,6,8-10,13H,2-3,5,7H2,1H3,(H,20,22,25)/t18-/m1/s1
InChIKeyHBGZXAAZZBXZQA-GOSISDBHSA-N
XLogP1.72
TPSA103.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide with MolForge

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Related Compounds

N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide
CID 139327554
(3S)-1-[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]-3-cyclopropyl-2-oxopyrrolidine-3-carbonitrile
CID 121374873
6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxylic acid
CID 121374564
N-[[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]methyl]acetamide
CID 121374516
2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 121374633
(3S)-3-cyclopropyl-1-[2-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
CID 121374363
6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-N-cyclopropyl-N-methylpyridine-3-carboxamide
CID 121374375
6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyridine-3-carbonitrile
CID 121374389
3-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-N-(cyclopropylmethyl)-1-methylpyrazole-5-carboxamide
CID 121374628
(3S)-1-[2-[[5-(2-cyanopropan-2-yl)-2-pyridinyl]amino]-4-pyridinyl]-3-cyclopropyl-2-oxopyrrolidine-3-carbonitrile
CID 121374429
(3S)-3-cyclopropyl-1-[2-[[5-[(3S)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
CID 121374504
1-(2-bromo-4-pyridinyl)-3-cyclopropyl-2-oxopyrrolidine-3-carbonitrile
CID 121374381

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide (CID 121374858) is N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2cc(N3CC[C@@](C#N)(C4CC4)C3=O)ccn2)cn1.
What is the InChIKey of N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is HBGZXAAZZBXZQA-GOSISDBHSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-23-10-12(9-21-23)16(25)22-15-8-14(4-6-20-15)24-7-5-18(11-19,17(24)26)13-2-3-13/h4,6,8-10,13H,2-3,5,7H2,1H3,(H,20,22,25)/t18-/m1/s1.
What are the key properties of N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide?
N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 121374858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).