N-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]pyridine-2-carboxamide

C15H14FN3O2 — CID 10493507

IUPACN-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]pyridine-2-carboxamide
SMILESC[C@H](NC(=O)c1ccccn1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H14FN3O2/c1-10(18-15(21)13-4-2-3-9-17-13)14(20)19-12-7-5-11(16)6-8-12/h2-10H,1H3,(H,18,21)(H,19,20)/t10-/m0/s1
InChIKeyXNFMUIJKVVRHAG-JTQLQIEISA-N
MW287.29 g/mol
LogP1.98
Rot. Bonds4

About N-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]pyridine-2-carboxamide

N-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]pyridine-2-carboxamide (PubChem CID 10493507) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is N-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]pyridine-2-carboxamide
PubChem CID10493507
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC NameN-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]pyridine-2-carboxamide
SMILESC[C@H](NC(=O)c1ccccn1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H14FN3O2/c1-10(18-15(21)13-4-2-3-9-17-13)14(20)19-12-7-5-11(16)6-8-12/h2-10H,1H3,(H,18,21)(H,19,20)/t10-/m0/s1
InChIKeyXNFMUIJKVVRHAG-JTQLQIEISA-N
XLogP1.98
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148415
N-(4-fluorophenyl)pyridine-2-carbothioamide
CID 14510216
2-chloro-N-(4-fluorophenyl)propanamide
CID 532266
N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]pyridine-2-carboxamide
CID 59733537
2-anilino-1-pyridin-2-ylpropan-1-one
CID 160887436
(2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 7830345
N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 4879692
N-[1-(4-chloroanilino)-1-oxopropan-2-yl]-3,5-difluorobenzamide
CID 42960816
N-(4-fluorophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201597
N-(1-anilino-1-oxopropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56787958
N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 2571943
N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 821516

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]pyridine-2-carboxamide (CID 10493507) is N-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]pyridine-2-carboxamide is C[C@H](NC(=O)c1ccccn1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]pyridine-2-carboxamide?
The InChIKey is XNFMUIJKVVRHAG-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-10(18-15(21)13-4-2-3-9-17-13)14(20)19-12-7-5-11(16)6-8-12/h2-10H,1H3,(H,18,21)(H,19,20)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]pyridine-2-carboxamide?
N-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]pyridine-2-carboxamide has a molecular weight of 287.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 10493507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).