2-(2-fluoroanilino)-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide

C18H22FN5O — CID 119444821

IUPAC2-(2-fluoroanilino)-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCN1CCNCC1)c1cccnc1Nc1ccccc1F
InChIInChI=1S/C18H22FN5O/c19-15-5-1-2-6-16(15)23-17-14(4-3-7-21-17)18(25)22-10-13-24-11-8-20-9-12-24/h1-7,20H,8-13H2,(H,21,23)(H,22,25)
InChIKeyLDXQIQRIBLZMKR-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.60
Rot. Bonds6

About 2-(2-fluoroanilino)-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide

2-(2-fluoroanilino)-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 119444821) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-fluoroanilino)-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
PubChem CID119444821
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name2-(2-fluoroanilino)-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCN1CCNCC1)c1cccnc1Nc1ccccc1F
InChIInChI=1S/C18H22FN5O/c19-15-5-1-2-6-16(15)23-17-14(4-3-7-21-17)18(25)22-10-13-24-11-8-20-9-12-24/h1-7,20H,8-13H2,(H,21,23)(H,22,25)
InChIKeyLDXQIQRIBLZMKR-UHFFFAOYSA-N
XLogP1.60
TPSA69.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluoroanilino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 120946923
2-(2-fluoroanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;dihydrochloride
CID 120890702
methyl 2-[[2-(2-fluoroanilino)pyridine-3-carbonyl]amino]acetate
CID 134008874
2-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447369
2-(methylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 55211981
2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 107362791
2-(2,2-dimethylpropanoylamino)-N-(2-piperazin-1-ylethyl)benzamide
CID 119448601
2-(2-fluorophenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 43600344
2-methoxy-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 62874313
2-(2-fluoroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 1441150
N-(2-chlorophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 23632658
4-chloro-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119445404

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(2-fluoroanilino)-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide (CID 119444821) is 2-(2-fluoroanilino)-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-fluoroanilino)-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2-fluoroanilino)-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide is O=C(NCCN1CCNCC1)c1cccnc1Nc1ccccc1F.
What is the InChIKey of 2-(2-fluoroanilino)-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is LDXQIQRIBLZMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O/c19-15-5-1-2-6-16(15)23-17-14(4-3-7-21-17)18(25)22-10-13-24-11-8-20-9-12-24/h1-7,20H,8-13H2,(H,21,23)(H,22,25).
What are the key properties of 2-(2-fluoroanilino)-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide?
2-(2-fluoroanilino)-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 119444821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).