6-(dimethylamino)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide

C19H22FN3O2 — CID 94633691

IUPAC6-(dimethylamino)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cn1
InChIInChI=1S/C19H22FN3O2/c1-23(2)17-10-7-14(12-21-17)19(24)22-18(16-4-3-11-25-16)13-5-8-15(20)9-6-13/h5-10,12,16,18H,3-4,11H2,1-2H3,(H,22,24)/t16-,18+/m1/s1
InChIKeyJCOVAMGQJIRRSH-AEFFLSMTSA-N
MW343.40 g/mol
LogP2.94
Rot. Bonds5

About 6-(dimethylamino)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide

6-(dimethylamino)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 94633691) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 6-(dimethylamino)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
PubChem CID94633691
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name6-(dimethylamino)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cn1
InChIInChI=1S/C19H22FN3O2/c1-23(2)17-10-7-14(12-21-17)19(24)22-18(16-4-3-11-25-16)13-5-8-15(20)9-6-13/h5-10,12,16,18H,3-4,11H2,1-2H3,(H,22,24)/t16-,18+/m1/s1
InChIKeyJCOVAMGQJIRRSH-AEFFLSMTSA-N
XLogP2.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 94633704
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 97018110
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-morpholin-4-ylbenzamide
CID 95047787
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 75479531
N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 96545451
N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 94633539
6-fluoro-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 63971995
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 167985470
1-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylurea
CID 94667001
1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea
CID 94666591
1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea
CID 94666558
1-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 94666979

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide (CID 94633691) is 6-(dimethylamino)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide is CN(C)c1ccc(C(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cn1.
What is the InChIKey of 6-(dimethylamino)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is JCOVAMGQJIRRSH-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-23(2)17-10-7-14(12-21-17)19(24)22-18(16-4-3-11-25-16)13-5-8-15(20)9-6-13/h5-10,12,16,18H,3-4,11H2,1-2H3,(H,22,24)/t16-,18+/m1/s1.
What are the key properties of 6-(dimethylamino)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
6-(dimethylamino)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 94633691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).