N-(cyclopropylmethyl)-5-fluoro-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pyridine-2-carboxamide

C16H22FN3O2 — CID 129478828

IUPACN-(cyclopropylmethyl)-5-fluoro-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pyridine-2-carboxamide
SMILESCN1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc(F)cn2)C1
InChIInChI=1S/C16H22FN3O2/c1-19-6-7-22-14(10-19)11-20(9-12-2-3-12)16(21)15-5-4-13(17)8-18-15/h4-5,8,12,14H,2-3,6-7,9-11H2,1H3/t14-/m1/s1
InChIKeyZVTZPBCTDBGXKZ-CQSZACIVSA-N
MW307.37 g/mol
LogP1.40
Rot. Bonds5

About N-(cyclopropylmethyl)-5-fluoro-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pyridine-2-carboxamide

N-(cyclopropylmethyl)-5-fluoro-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pyridine-2-carboxamide (PubChem CID 129478828) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-fluoro-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-fluoro-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pyridine-2-carboxamide
PubChem CID129478828
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC NameN-(cyclopropylmethyl)-5-fluoro-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pyridine-2-carboxamide
SMILESCN1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc(F)cn2)C1
InChIInChI=1S/C16H22FN3O2/c1-19-6-7-22-14(10-19)11-20(9-12-2-3-12)16(21)15-5-4-13(17)8-18-15/h4-5,8,12,14H,2-3,6-7,9-11H2,1H3/t14-/m1/s1
InChIKeyZVTZPBCTDBGXKZ-CQSZACIVSA-N
XLogP1.40
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-5-(dimethylamino)-N-[(4-methylmorpholin-2-yl)methyl]pyrazine-2-carboxamide
CID 127976011
N-(cyclopropylmethyl)-4-fluoro-2-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide
CID 129478586
N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 129335888
N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 129478448
N-(cyclopropylmethyl)-2-fluoro-5-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide
CID 129478726
N-(cyclopropylmethyl)-3-ethyl-1-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pyrazole-4-carboxamide
CID 129331504
3-[cyclopropylmethyl-[(4-methylmorpholin-2-yl)methyl]carbamoyl]-4-methylbenzoic acid
CID 146141590
N-(cyclopropylmethyl)-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide
CID 129003814
5-[(4-methylmorpholin-2-yl)methylamino]pyridine-2-carboxylic acid
CID 115490999
N-(cyclopropylmethyl)-5-ethyl-3-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]furan-2-carboxamide
CID 129332923
(2R)-N-(cyclopropylmethyl)-2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 128970007
1-(cyclopropylmethyl)-3-(furan-3-ylmethyl)-1-[[(2S)-4-methylmorpholin-2-yl]methyl]urea
CID 129478739

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-fluoro-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-fluoro-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pyridine-2-carboxamide (CID 129478828) is N-(cyclopropylmethyl)-5-fluoro-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-fluoro-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-fluoro-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pyridine-2-carboxamide is CN1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc(F)cn2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-5-fluoro-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pyridine-2-carboxamide?
The InChIKey is ZVTZPBCTDBGXKZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-19-6-7-22-14(10-19)11-20(9-12-2-3-12)16(21)15-5-4-13(17)8-18-15/h4-5,8,12,14H,2-3,6-7,9-11H2,1H3/t14-/m1/s1.
What are the key properties of N-(cyclopropylmethyl)-5-fluoro-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pyridine-2-carboxamide?
N-(cyclopropylmethyl)-5-fluoro-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pyridine-2-carboxamide has a molecular weight of 307.37 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-fluoro-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 129478828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).