N-(1-cyanopyrrolidin-3-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropyridine-4-carboxamide

C17H22FN5O2 — CID 134363537

IUPACN-(1-cyanopyrrolidin-3-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropyridine-4-carboxamide
SMILESC[C@@H]1CN(c2cc(C(=O)NC3CCN(C#N)C3)c(F)cn2)C[C@H](C)O1
InChIInChI=1S/C17H22FN5O2/c1-11-7-23(8-12(2)25-11)16-5-14(15(18)6-20-16)17(24)21-13-3-4-22(9-13)10-19/h5-6,11-13H,3-4,7-9H2,1-2H3,(H,21,24)/t11-,12+,13?
InChIKeyODHVPYGBIHZJLO-FUNVUKJBSA-N
MW347.39 g/mol
LogP1.12
Rot. Bonds3

About N-(1-cyanopyrrolidin-3-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropyridine-4-carboxamide

N-(1-cyanopyrrolidin-3-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropyridine-4-carboxamide (PubChem CID 134363537) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is N-(1-cyanopyrrolidin-3-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopyrrolidin-3-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropyridine-4-carboxamide
PubChem CID134363537
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC NameN-(1-cyanopyrrolidin-3-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropyridine-4-carboxamide
SMILESC[C@@H]1CN(c2cc(C(=O)NC3CCN(C#N)C3)c(F)cn2)C[C@H](C)O1
InChIInChI=1S/C17H22FN5O2/c1-11-7-23(8-12(2)25-11)16-5-14(15(18)6-20-16)17(24)21-13-3-4-22(9-13)10-19/h5-6,11-13H,3-4,7-9H2,1-2H3,(H,21,24)/t11-,12+,13?
InChIKeyODHVPYGBIHZJLO-FUNVUKJBSA-N
XLogP1.12
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyanopyrrolidin-3-yl)-2-fluoro-4-(5-fluoro-2-methylpyrimidin-4-yl)benzamide
CID 122590417
N-(1-cyanopyrrolidin-3-yl)-2-fluoro-4-pyrrolidin-1-ylbenzamide
CID 122590391
N-(1-cyanopyrrolidin-3-yl)-2-fluoro-4-(2-methylpyrimidin-4-yl)benzamide
CID 122590548
N-[(3R)-1-cyanopyrrolidin-3-yl]-2-fluoro-4-(1-methylindazol-5-yl)benzamide
CID 122590619
N-[(3R)-1-cyanopyrrolidin-3-yl]-2-fluoro-4-(pyrimidin-2-ylamino)benzamide
CID 122590464
N-[(3R)-1-cyanopyrrolidin-3-yl]-2-fluoro-3-methoxy-4-(1-methylpyrazol-4-yl)benzamide
CID 122590891
N-(1-cyanopyrrolidin-3-yl)-5-phenylpyrimidine-2-carboxamide
CID 122590469
5-(5-cyano-2-cyclopropylphenyl)-N-(1-cyanopyrrolidin-3-yl)-1,3-oxazole-2-carboxamide
CID 168909070
N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122590863
N-[1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]piperidin-4-yl]-2-fluoro-3-[4-(trifluoromethoxy)phenyl]benzamide
CID 118155414
N-[(3R)-1-cyanopyrrolidin-3-yl]-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzamide
CID 162678154
2-amino-N-[1-(5-cyano-3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]-5-fluoropyridine-4-carboxamide;2-amino-5-fluoropyridine-4-carboxylic acid;4-(4-aminopiperidin-1-yl)-3-methyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;methane
CID 157230947

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopyrrolidin-3-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropyridine-4-carboxamide?
The IUPAC name of N-(1-cyanopyrrolidin-3-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropyridine-4-carboxamide (CID 134363537) is N-(1-cyanopyrrolidin-3-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(1-cyanopyrrolidin-3-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(1-cyanopyrrolidin-3-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropyridine-4-carboxamide is C[C@@H]1CN(c2cc(C(=O)NC3CCN(C#N)C3)c(F)cn2)C[C@H](C)O1.
What is the InChIKey of N-(1-cyanopyrrolidin-3-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropyridine-4-carboxamide?
The InChIKey is ODHVPYGBIHZJLO-FUNVUKJBSA-N. The full InChI is InChI=1S/C17H22FN5O2/c1-11-7-23(8-12(2)25-11)16-5-14(15(18)6-20-16)17(24)21-13-3-4-22(9-13)10-19/h5-6,11-13H,3-4,7-9H2,1-2H3,(H,21,24)/t11-,12+,13?.
What are the key properties of N-(1-cyanopyrrolidin-3-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropyridine-4-carboxamide?
N-(1-cyanopyrrolidin-3-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropyridine-4-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopyrrolidin-3-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoropyridine-4-carboxamide is sourced from PubChem (CID 134363537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).