N-[2-[(5-fluoropyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide

C26H24FN5O2 — CID 167980749

IUPACN-[2-[(5-fluoropyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide
SMILESO=C(NC(CNC(=O)C1CCCc2[nH]cnc21)c1ccc2ccccc2c1)c1cncc(F)c1
InChIInChI=1S/C26H24FN5O2/c27-20-11-19(12-28-13-20)25(33)32-23(18-9-8-16-4-1-2-5-17(16)10-18)14-29-26(34)21-6-3-7-22-24(21)31-15-30-22/h1-2,4-5,8-13,15,21,23H,3,6-7,14H2,(H,29,34)(H,30,31)(H,32,33)
InChIKeyNUDJIVMGRPJYGZ-UHFFFAOYSA-N
MW457.51 g/mol
LogP3.80
Rot. Bonds6

About N-[2-[(5-fluoropyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide

N-[2-[(5-fluoropyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide (PubChem CID 167980749) has the molecular formula C26H24FN5O2 and a molecular weight of 457.51 g/mol. Its IUPAC name is N-[2-[(5-fluoropyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-fluoropyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide
PubChem CID167980749
Molecular FormulaC26H24FN5O2
Molecular Weight457.51 g/mol
Exact Mass457.19
IUPAC NameN-[2-[(5-fluoropyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide
SMILESO=C(NC(CNC(=O)C1CCCc2[nH]cnc21)c1ccc2ccccc2c1)c1cncc(F)c1
InChIInChI=1S/C26H24FN5O2/c27-20-11-19(12-28-13-20)25(33)32-23(18-9-8-16-4-1-2-5-17(16)10-18)14-29-26(34)21-6-3-7-22-24(21)31-15-30-22/h1-2,4-5,8-13,15,21,23H,3,6-7,14H2,(H,29,34)(H,30,31)(H,32,33)
InChIKeyNUDJIVMGRPJYGZ-UHFFFAOYSA-N
XLogP3.80
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-[(5-fluoropyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide with MolForge

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Related Compounds

(4R)-N-[(R)-(4-fluorophenyl)-phenylmethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide
CID 124843173
N-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-2-naphthalen-2-ylethyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 166329105
(1R)-N-[2-[(3-cyano-4-fluorobenzoyl)amino]-1-naphthalen-2-ylethyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 166358172
N-[2-(furan-3-carbonylamino)-1-naphthalen-2-ylethyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 167864715
3-(4-tert-butylphenyl)-3-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid
CID 120520504
N-[2-[(4-methylpyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 166329178
methyl 3-[(5-fluoropyridine-3-carbonyl)amino]-3-(4-phenylphenyl)propanoate
CID 146127175
N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide
CID 58633293
methyl (2R)-2-(4-fluorophenyl)-3-[[(4S)-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl]amino]propanoate
CID 124624899
5-(4-fluorophenyl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-1H-pyrazole-4-carboxamide
CID 166201296
N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-carboxamide
CID 104786596
N-[2-(isoquinoline-4-carbonylamino)-2-naphthalen-2-ylethyl]-1,3-oxazole-5-carboxamide
CID 167938401

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-fluoropyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-[2-[(5-fluoropyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide (CID 167980749) is N-[2-[(5-fluoropyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-[2-[(5-fluoropyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-[2-[(5-fluoropyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide is O=C(NC(CNC(=O)C1CCCc2[nH]cnc21)c1ccc2ccccc2c1)c1cncc(F)c1.
What is the InChIKey of N-[2-[(5-fluoropyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide?
The InChIKey is NUDJIVMGRPJYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O2/c27-20-11-19(12-28-13-20)25(33)32-23(18-9-8-16-4-1-2-5-17(16)10-18)14-29-26(34)21-6-3-7-22-24(21)31-15-30-22/h1-2,4-5,8-13,15,21,23H,3,6-7,14H2,(H,29,34)(H,30,31)(H,32,33).
What are the key properties of N-[2-[(5-fluoropyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide?
N-[2-[(5-fluoropyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 3.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-fluoropyridine-3-carbonyl)amino]-2-naphthalen-2-ylethyl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 167980749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).