N-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide

C21H25FN4O2 — CID 109102347

IUPACN-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(C(=O)N2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C21H25FN4O2/c1-3-15(2)24-20(27)16-12-17(14-23-13-16)21(28)26-10-8-25(9-11-26)19-7-5-4-6-18(19)22/h4-7,12-15H,3,8-11H2,1-2H3,(H,24,27)
InChIKeyCTWMHWDZYNFUAJ-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.71
Rot. Bonds5

About N-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide

N-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide (PubChem CID 109102347) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is N-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
PubChem CID109102347
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC NameN-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(C(=O)N2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C21H25FN4O2/c1-3-15(2)24-20(27)16-12-17(14-23-13-16)21(28)26-10-8-25(9-11-26)19-7-5-4-6-18(19)22/h4-7,12-15H,3,8-11H2,1-2H3,(H,24,27)
InChIKeyCTWMHWDZYNFUAJ-UHFFFAOYSA-N
XLogP2.71
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide
CID 109106697
N-tert-butyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109106695
N-[2-(dimethylamino)ethyl]-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109104067
N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4069653
N-butan-2-yl-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109102368
5-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 109223224
N-butan-2-yl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-3-carboxamide
CID 109102324
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230282
[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109229318
N-butan-2-yl-5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxamide
CID 109102375
[4-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
CID 110756069
N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carbothioamide
CID 23905679

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide (CID 109102347) is N-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide is CCC(C)NC(=O)c1cncc(C(=O)N2CCN(c3ccccc3F)CC2)c1.
What is the InChIKey of N-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide?
The InChIKey is CTWMHWDZYNFUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-3-15(2)24-20(27)16-12-17(14-23-13-16)21(28)26-10-8-25(9-11-26)19-7-5-4-6-18(19)22/h4-7,12-15H,3,8-11H2,1-2H3,(H,24,27).
What are the key properties of N-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide?
N-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide is sourced from PubChem (CID 109102347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).