N-[4-[2-(1-aminopentan-2-yl)quinolin-6-yl]-2-pyridinyl]-3-fluorobenzamide

C26H25FN4O — CID 118279725

IUPACN-[4-[2-(1-aminopentan-2-yl)quinolin-6-yl]-2-pyridinyl]-3-fluorobenzamide
SMILESCCCC(CN)c1ccc2cc(-c3ccnc(NC(=O)c4cccc(F)c4)c3)ccc2n1
InChIInChI=1S/C26H25FN4O/c1-2-4-21(16-28)24-10-8-19-13-17(7-9-23(19)30-24)18-11-12-29-25(15-18)31-26(32)20-5-3-6-22(27)14-20/h3,5-15,21H,2,4,16,28H2,1H3,(H,29,31,32)
InChIKeyUBEXUIBPBNHEEW-UHFFFAOYSA-N
MW428.51 g/mol
LogP5.53
Rot. Bonds7

About N-[4-[2-(1-aminopentan-2-yl)quinolin-6-yl]-2-pyridinyl]-3-fluorobenzamide

N-[4-[2-(1-aminopentan-2-yl)quinolin-6-yl]-2-pyridinyl]-3-fluorobenzamide (PubChem CID 118279725) has the molecular formula C26H25FN4O and a molecular weight of 428.51 g/mol. Its IUPAC name is N-[4-[2-(1-aminopentan-2-yl)quinolin-6-yl]-2-pyridinyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[2-(1-aminopentan-2-yl)quinolin-6-yl]-2-pyridinyl]-3-fluorobenzamide
PubChem CID118279725
Molecular FormulaC26H25FN4O
Molecular Weight428.51 g/mol
Exact Mass428.20
IUPAC NameN-[4-[2-(1-aminopentan-2-yl)quinolin-6-yl]-2-pyridinyl]-3-fluorobenzamide
SMILESCCCC(CN)c1ccc2cc(-c3ccnc(NC(=O)c4cccc(F)c4)c3)ccc2n1
InChIInChI=1S/C26H25FN4O/c1-2-4-21(16-28)24-10-8-19-13-17(7-9-23(19)30-24)18-11-12-29-25(15-18)31-26(32)20-5-3-6-22(27)14-20/h3,5-15,21H,2,4,16,28H2,1H3,(H,29,31,32)
InChIKeyUBEXUIBPBNHEEW-UHFFFAOYSA-N
XLogP5.53
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.51
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[2-(1-aminopentan-2-yl)quinolin-6-yl]-2-pyridinyl]-3-fluorobenzamide with MolForge

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Related Compounds

[2-fluoro-4-[[4-(4-fluorophenyl)-2-pyridinyl]carbamoyl]phenyl]boronic acid
CID 155776448
N-(4-bromo-2-pyridinyl)-3-fluorobenzamide
CID 3011458
(E)-3-[2-[(3-fluorobenzoyl)amino]-4-pyridinyl]prop-2-enoic acid
CID 102822099
tert-butyl N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate
CID 173186178
N-(3-fluorophenyl)-2-(propylamino)pyridine-4-carboxamide
CID 62166192
3-fluoro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide
CID 113024101
N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-3-fluorobenzamide
CID 146571657
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-fluorobenzamide
CID 112772428
6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61318981
N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride
CID 175851405
N-[(2R)-butan-2-yl]-2-[(3-fluorobenzoyl)amino]benzamide
CID 26706214
N-(6-butoxy-1,3-benzothiazol-2-yl)-3-fluorobenzamide
CID 19220346

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-aminopentan-2-yl)quinolin-6-yl]-2-pyridinyl]-3-fluorobenzamide?
The IUPAC name of N-[4-[2-(1-aminopentan-2-yl)quinolin-6-yl]-2-pyridinyl]-3-fluorobenzamide (CID 118279725) is N-[4-[2-(1-aminopentan-2-yl)quinolin-6-yl]-2-pyridinyl]-3-fluorobenzamide.
What is the SMILES notation for N-[4-[2-(1-aminopentan-2-yl)quinolin-6-yl]-2-pyridinyl]-3-fluorobenzamide?
The canonical SMILES for N-[4-[2-(1-aminopentan-2-yl)quinolin-6-yl]-2-pyridinyl]-3-fluorobenzamide is CCCC(CN)c1ccc2cc(-c3ccnc(NC(=O)c4cccc(F)c4)c3)ccc2n1.
What is the InChIKey of N-[4-[2-(1-aminopentan-2-yl)quinolin-6-yl]-2-pyridinyl]-3-fluorobenzamide?
The InChIKey is UBEXUIBPBNHEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O/c1-2-4-21(16-28)24-10-8-19-13-17(7-9-23(19)30-24)18-11-12-29-25(15-18)31-26(32)20-5-3-6-22(27)14-20/h3,5-15,21H,2,4,16,28H2,1H3,(H,29,31,32).
What are the key properties of N-[4-[2-(1-aminopentan-2-yl)quinolin-6-yl]-2-pyridinyl]-3-fluorobenzamide?
N-[4-[2-(1-aminopentan-2-yl)quinolin-6-yl]-2-pyridinyl]-3-fluorobenzamide has a molecular weight of 428.51 g/mol, XLogP of 5.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-aminopentan-2-yl)quinolin-6-yl]-2-pyridinyl]-3-fluorobenzamide is sourced from PubChem (CID 118279725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).