N-(2-aminocyclohexyl)-6-[[4-[(3S)-3-cyano-3-fluoro-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxamide

C23H26FN7O2 — CID 144783321

IUPACN-(2-aminocyclohexyl)-6-[[4-[(3S)-3-cyano-3-fluoro-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxamide
SMILESCc1cc(Nc2cc(N3CC[C@](F)(C#N)C3=O)ccn2)ncc1C(=O)NC1CCCCC1N
InChIInChI=1S/C23H26FN7O2/c1-14-10-19(28-12-16(14)21(32)29-18-5-3-2-4-17(18)26)30-20-11-15(6-8-27-20)31-9-7-23(24,13-25)22(31)33/h6,8,10-12,17-18H,2-5,7,9,26H2,1H3,(H,29,32)(H,27,28,30)/t17?,18?,23-/m0/s1
InChIKeyVYSIDSZOYLFHPR-KXXGJQBSSA-N
MW451.51 g/mol
LogP2.50
Rot. Bonds5

About N-(2-aminocyclohexyl)-6-[[4-[(3S)-3-cyano-3-fluoro-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxamide

N-(2-aminocyclohexyl)-6-[[4-[(3S)-3-cyano-3-fluoro-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxamide (PubChem CID 144783321) has the molecular formula C23H26FN7O2 and a molecular weight of 451.51 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-6-[[4-[(3S)-3-cyano-3-fluoro-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-6-[[4-[(3S)-3-cyano-3-fluoro-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxamide
PubChem CID144783321
Molecular FormulaC23H26FN7O2
Molecular Weight451.51 g/mol
Exact Mass451.21
IUPAC NameN-(2-aminocyclohexyl)-6-[[4-[(3S)-3-cyano-3-fluoro-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxamide
SMILESCc1cc(Nc2cc(N3CC[C@](F)(C#N)C3=O)ccn2)ncc1C(=O)NC1CCCCC1N
InChIInChI=1S/C23H26FN7O2/c1-14-10-19(28-12-16(14)21(32)29-18-5-3-2-4-17(18)26)30-20-11-15(6-8-27-20)31-9-7-23(24,13-25)22(31)33/h6,8,10-12,17-18H,2-5,7,9,26H2,1H3,(H,29,32)(H,27,28,30)/t17?,18?,23-/m0/s1
InChIKeyVYSIDSZOYLFHPR-KXXGJQBSSA-N
XLogP2.50
TPSA137.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(2-aminocyclohexyl)-6-[[4-[(3S)-3-cyano-3-fluoro-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxamide with MolForge

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Related Compounds

6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxylic acid
CID 121374564
(3S)-3-cyclopropyl-1-[2-[[5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-4-methyl-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
CID 121374584
(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]-N-cyclopropyl-N-methylpyridine-3-carboxamide
CID 121374375
3-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-1-(difluoromethyl)-N-methylpyrazole-5-carboxamide
CID 121374890
6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyridine-3-carbonitrile
CID 121374389
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
5-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide
CID 121374869
(3S)-3-cyclopropyl-1-[2-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
CID 121374363
(3S)-3-cyclopropyl-1-[2-[[5-[(3S)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
CID 121374504
3-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-N-(cyclopropylmethyl)-1-methylpyrazole-5-carboxamide
CID 121374628

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-6-[[4-[(3S)-3-cyano-3-fluoro-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxamide?
The IUPAC name of N-(2-aminocyclohexyl)-6-[[4-[(3S)-3-cyano-3-fluoro-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxamide (CID 144783321) is N-(2-aminocyclohexyl)-6-[[4-[(3S)-3-cyano-3-fluoro-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-6-[[4-[(3S)-3-cyano-3-fluoro-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2-aminocyclohexyl)-6-[[4-[(3S)-3-cyano-3-fluoro-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxamide is Cc1cc(Nc2cc(N3CC[C@](F)(C#N)C3=O)ccn2)ncc1C(=O)NC1CCCCC1N.
What is the InChIKey of N-(2-aminocyclohexyl)-6-[[4-[(3S)-3-cyano-3-fluoro-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxamide?
The InChIKey is VYSIDSZOYLFHPR-KXXGJQBSSA-N. The full InChI is InChI=1S/C23H26FN7O2/c1-14-10-19(28-12-16(14)21(32)29-18-5-3-2-4-17(18)26)30-20-11-15(6-8-27-20)31-9-7-23(24,13-25)22(31)33/h6,8,10-12,17-18H,2-5,7,9,26H2,1H3,(H,29,32)(H,27,28,30)/t17?,18?,23-/m0/s1.
What are the key properties of N-(2-aminocyclohexyl)-6-[[4-[(3S)-3-cyano-3-fluoro-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxamide?
N-(2-aminocyclohexyl)-6-[[4-[(3S)-3-cyano-3-fluoro-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxamide has a molecular weight of 451.51 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-6-[[4-[(3S)-3-cyano-3-fluoro-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 144783321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).