2-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide

C25H27ClFN5O — CID 58127396

IUPAC2-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide
SMILESNC(=O)c1cc(NCc2cccc(F)c2)nc(-c2cc(CC3CCC(N)CC3)ncc2Cl)c1
InChIInChI=1S/C25H27ClFN5O/c26-22-14-30-20(9-15-4-6-19(28)7-5-15)12-21(22)23-10-17(25(29)33)11-24(32-23)31-13-16-2-1-3-18(27)8-16/h1-3,8,10-12,14-15,19H,4-7,9,13,28H2,(H2,29,33)(H,31,32)
InChIKeyPENORMXTJTWZFJ-UHFFFAOYSA-N
MW467.98 g/mol
LogP4.71
Rot. Bonds7

About 2-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide

2-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide (PubChem CID 58127396) has the molecular formula C25H27ClFN5O and a molecular weight of 467.98 g/mol. Its IUPAC name is 2-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide
PubChem CID58127396
Molecular FormulaC25H27ClFN5O
Molecular Weight467.98 g/mol
Exact Mass467.19
IUPAC Name2-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide
SMILESNC(=O)c1cc(NCc2cccc(F)c2)nc(-c2cc(CC3CCC(N)CC3)ncc2Cl)c1
InChIInChI=1S/C25H27ClFN5O/c26-22-14-30-20(9-15-4-6-19(28)7-5-15)12-21(22)23-10-17(25(29)33)11-24(32-23)31-13-16-2-1-3-18(27)8-16/h1-3,8,10-12,14-15,19H,4-7,9,13,28H2,(H2,29,33)(H,31,32)
InChIKeyPENORMXTJTWZFJ-UHFFFAOYSA-N
XLogP4.71
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.98
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide with MolForge

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Related Compounds

6-[2-[[(1R,3R)-3-aminocyclopentyl]methyl]-5-chloro-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
CID 58127344
6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-3-fluoro-N-[(3-fluorophenyl)methyl]pyridin-2-amine;methane
CID 162043335
[(1S,3R)-3-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclopentyl]-pyrrolidin-1-ylmethanone
CID 58127329
6-[2-[[(3S,4S)-4-amino-3-methylcyclohexyl]methyl]-5-chloro-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
CID 58127144
6-[5-chloro-2-[[4-(methoxymethyl)cyclohexyl]methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
CID 58127331
6-[5-chloro-2-[(1-methylpiperidin-4-yl)methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
CID 58127379
6-[5-chloro-2-[(1-ethylsulfonylpiperidin-4-yl)methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
CID 58127051
4-[[5-chloro-4-[6-(pyridin-3-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol
CID 58127174
4-[[[6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-2-pyridinyl]amino]methyl]oxan-4-ol
CID 161020079
cis-(1S,3R)-3-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclopentane-1-carboxylic acid
CID 66936933
4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]-N-methylcyclohexane-1-carboxamide
CID 70793954
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(oxan-4-yl)pyridin-2-amine
CID 70794022

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide?
The IUPAC name of 2-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide (CID 58127396) is 2-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide.
What is the SMILES notation for 2-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide?
The canonical SMILES for 2-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide is NC(=O)c1cc(NCc2cccc(F)c2)nc(-c2cc(CC3CCC(N)CC3)ncc2Cl)c1.
What is the InChIKey of 2-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide?
The InChIKey is PENORMXTJTWZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClFN5O/c26-22-14-30-20(9-15-4-6-19(28)7-5-15)12-21(22)23-10-17(25(29)33)11-24(32-23)31-13-16-2-1-3-18(27)8-16/h1-3,8,10-12,14-15,19H,4-7,9,13,28H2,(H2,29,33)(H,31,32).
What are the key properties of 2-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide?
2-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide has a molecular weight of 467.98 g/mol, XLogP of 4.71, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide is sourced from PubChem (CID 58127396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).