(3R)-N-[[(2S,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]-3-fluoro-1-methylpyrrolidine-3-carboxamide

C21H25FN6O2 — CID 146329602

IUPAC(3R)-N-[[(2S,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]-3-fluoro-1-methylpyrrolidine-3-carboxamide
SMILESC[C@@H]1CN(c2cnc(C#N)c3ncccc23)C[C@H](CNC(=O)[C@@]2(F)CCN(C)C2)O1
InChIInChI=1S/C21H25FN6O2/c1-14-11-28(18-10-25-17(8-23)19-16(18)4-3-6-24-19)12-15(30-14)9-26-20(29)21(22)5-7-27(2)13-21/h3-4,6,10,14-15H,5,7,9,11-13H2,1-2H3,(H,26,29)/t14-,15+,21-/m1/s1
InChIKeyDNSJWVRTOQYCKN-LRAJWGHMSA-N
MW412.47 g/mol
LogP1.26
Rot. Bonds4

About (3R)-N-[[(2S,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]-3-fluoro-1-methylpyrrolidine-3-carboxamide

(3R)-N-[[(2S,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]-3-fluoro-1-methylpyrrolidine-3-carboxamide (PubChem CID 146329602) has the molecular formula C21H25FN6O2 and a molecular weight of 412.47 g/mol. Its IUPAC name is (3R)-N-[[(2S,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]-3-fluoro-1-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[(2S,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]-3-fluoro-1-methylpyrrolidine-3-carboxamide
PubChem CID146329602
Molecular FormulaC21H25FN6O2
Molecular Weight412.47 g/mol
Exact Mass412.20
IUPAC Name(3R)-N-[[(2S,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]-3-fluoro-1-methylpyrrolidine-3-carboxamide
SMILESC[C@@H]1CN(c2cnc(C#N)c3ncccc23)C[C@H](CNC(=O)[C@@]2(F)CCN(C)C2)O1
InChIInChI=1S/C21H25FN6O2/c1-14-11-28(18-10-25-17(8-23)19-16(18)4-3-6-24-19)12-15(30-14)9-26-20(29)21(22)5-7-27(2)13-21/h3-4,6,10,14-15H,5,7,9,11-13H2,1-2H3,(H,26,29)/t14-,15+,21-/m1/s1
InChIKeyDNSJWVRTOQYCKN-LRAJWGHMSA-N
XLogP1.26
TPSA94.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-N-[[(2S,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]-3-fluoro-1-methylpyrrolidine-3-carboxamide with MolForge

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Related Compounds

N-[[(2S,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]-3-fluoro-1-methylpyrrolidine-3-carboxamide
CID 162468277
(3S)-N-[[(2S,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]-3-fluoro-1-methylpyrrolidine-3-carboxamide;molecular hydrogen
CID 153398957
methyl 1-[[(2R,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]pyrazole-4-carboxylate
CID 146316904
5-[2-methyl-6-[(4-methylphenyl)sulfanyloxymethyl]morpholin-4-yl]-1,7-naphthyridine-8-carbonitrile
CID 153398906
N-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]-2,2-dimethylpropanamide
CID 118007348
N-[[6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]methyl]-2-(1-methylpiperidin-4-yl)acetamide
CID 146329598
(2R,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methyl-N-(4-morpholin-4-ylcyclohexyl)morpholine-2-carboxamide
CID 146329183
5-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006633
5-[(2R,6S)-2-methyl-6-[[(3-methyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118006692
5-[(2R,6R)-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118007152
N-[[(2S)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]-1,1-dioxothian-4-amine
CID 153398968
(2S)-N-[[(2S,6R)-4-(8-cyanoquinoxalin-5-yl)-6-methylmorpholin-2-yl]methyl]-2-hydroxypropanamide
CID 146329223

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[(2S,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]-3-fluoro-1-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[[(2S,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]-3-fluoro-1-methylpyrrolidine-3-carboxamide (CID 146329602) is (3R)-N-[[(2S,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]-3-fluoro-1-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[[(2S,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]-3-fluoro-1-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[[(2S,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]-3-fluoro-1-methylpyrrolidine-3-carboxamide is C[C@@H]1CN(c2cnc(C#N)c3ncccc23)C[C@H](CNC(=O)[C@@]2(F)CCN(C)C2)O1.
What is the InChIKey of (3R)-N-[[(2S,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]-3-fluoro-1-methylpyrrolidine-3-carboxamide?
The InChIKey is DNSJWVRTOQYCKN-LRAJWGHMSA-N. The full InChI is InChI=1S/C21H25FN6O2/c1-14-11-28(18-10-25-17(8-23)19-16(18)4-3-6-24-19)12-15(30-14)9-26-20(29)21(22)5-7-27(2)13-21/h3-4,6,10,14-15H,5,7,9,11-13H2,1-2H3,(H,26,29)/t14-,15+,21-/m1/s1.
What are the key properties of (3R)-N-[[(2S,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]-3-fluoro-1-methylpyrrolidine-3-carboxamide?
(3R)-N-[[(2S,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]-3-fluoro-1-methylpyrrolidine-3-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[(2S,6R)-4-(8-cyano-1,7-naphthyridin-5-yl)-6-methylmorpholin-2-yl]methyl]-3-fluoro-1-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 146329602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).