N-(2-fluoro-5-methylphenyl)-2-methyl-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propanamide;hydrochloride

C26H31ClFN5O — CID 171687296

IUPACN-(2-fluoro-5-methylphenyl)-2-methyl-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propanamide;hydrochloride
SMILESCc1ccc(F)c(NC(=O)C(C)(C)N2CCC(c3cccc(Nc4ccccn4)n3)CC2)c1.Cl
InChIInChI=1S/C26H30FN5O.ClH/c1-18-10-11-20(27)22(17-18)30-25(33)26(2,3)32-15-12-19(13-16-32)21-7-6-9-24(29-21)31-23-8-4-5-14-28-23;/h4-11,14,17,19H,12-13,15-16H2,1-3H3,(H,30,33)(H,28,29,31);1H
InChIKeyWZVZIJBRFHOGOB-UHFFFAOYSA-N
MW484.02 g/mol
LogP5.69
Rot. Bonds6

About N-(2-fluoro-5-methylphenyl)-2-methyl-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propanamide;hydrochloride

N-(2-fluoro-5-methylphenyl)-2-methyl-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propanamide;hydrochloride (PubChem CID 171687296) has the molecular formula C26H31ClFN5O and a molecular weight of 484.02 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-2-methyl-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-2-methyl-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propanamide;hydrochloride
PubChem CID171687296
Molecular FormulaC26H31ClFN5O
Molecular Weight484.02 g/mol
Exact Mass483.22
IUPAC NameN-(2-fluoro-5-methylphenyl)-2-methyl-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propanamide;hydrochloride
SMILESCc1ccc(F)c(NC(=O)C(C)(C)N2CCC(c3cccc(Nc4ccccn4)n3)CC2)c1.Cl
InChIInChI=1S/C26H30FN5O.ClH/c1-18-10-11-20(27)22(17-18)30-25(33)26(2,3)32-15-12-19(13-16-32)21-7-6-9-24(29-21)31-23-8-4-5-14-28-23;/h4-11,14,17,19H,12-13,15-16H2,1-3H3,(H,30,33)(H,28,29,31);1H
InChIKeyWZVZIJBRFHOGOB-UHFFFAOYSA-N
XLogP5.69
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.02
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-2-methyl-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propanamide;hydrochloride?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-2-methyl-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propanamide;hydrochloride (CID 171687296) is N-(2-fluoro-5-methylphenyl)-2-methyl-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propanamide;hydrochloride.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-2-methyl-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propanamide;hydrochloride?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-2-methyl-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propanamide;hydrochloride is Cc1ccc(F)c(NC(=O)C(C)(C)N2CCC(c3cccc(Nc4ccccn4)n3)CC2)c1.Cl.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-2-methyl-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propanamide;hydrochloride?
The InChIKey is WZVZIJBRFHOGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O.ClH/c1-18-10-11-20(27)22(17-18)30-25(33)26(2,3)32-15-12-19(13-16-32)21-7-6-9-24(29-21)31-23-8-4-5-14-28-23;/h4-11,14,17,19H,12-13,15-16H2,1-3H3,(H,30,33)(H,28,29,31);1H.
What are the key properties of N-(2-fluoro-5-methylphenyl)-2-methyl-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propanamide;hydrochloride?
N-(2-fluoro-5-methylphenyl)-2-methyl-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propanamide;hydrochloride has a molecular weight of 484.02 g/mol, XLogP of 5.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-2-methyl-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propanamide;hydrochloride is sourced from PubChem (CID 171687296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).