N-(1-phenylethyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide

C25H29N5O — CID 110111181

IUPACN-(1-phenylethyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
SMILESCC(NC(=O)CN1CCC(c2cccc(Nc3ccccn3)n2)CC1)c1ccccc1
InChIInChI=1S/C25H29N5O/c1-19(20-8-3-2-4-9-20)27-25(31)18-30-16-13-21(14-17-30)22-10-7-12-24(28-22)29-23-11-5-6-15-26-23/h2-12,15,19,21H,13-14,16-18H2,1H3,(H,27,31)(H,26,28,29)
InChIKeyVOUHGWMSRMOEPJ-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.28
Rot. Bonds7

About N-(1-phenylethyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide

N-(1-phenylethyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide (PubChem CID 110111181) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is N-(1-phenylethyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
PubChem CID110111181
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC NameN-(1-phenylethyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
SMILESCC(NC(=O)CN1CCC(c2cccc(Nc3ccccn3)n2)CC1)c1ccccc1
InChIInChI=1S/C25H29N5O/c1-19(20-8-3-2-4-9-20)27-25(31)18-30-16-13-21(14-17-30)22-10-7-12-24(28-22)29-23-11-5-6-15-26-23/h2-12,15,19,21H,13-14,16-18H2,1H3,(H,27,31)(H,26,28,29)
InChIKeyVOUHGWMSRMOEPJ-UHFFFAOYSA-N
XLogP4.28
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110093855
N-(2-methoxyphenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110095808
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 124966125
N-(1,5-dimethylpyrazol-4-yl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110093998
N-(2-methoxy-6-methylphenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110109838
N-[(2R)-1-methoxypropan-2-yl]-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 124970558
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 9337460
2-(4-aminopiperidin-1-yl)-N-(1-phenylethyl)acetamide
CID 43556855
(2S)-2-methyl-3-morpholin-4-yl-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 124966495
N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110093175
2-(2,6-dimethylanilino)-1-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110109850
N-(2-fluorophenyl)-2-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]acetamide
CID 110095958

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(1-phenylethyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide (CID 110111181) is N-(1-phenylethyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(1-phenylethyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(1-phenylethyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide is CC(NC(=O)CN1CCC(c2cccc(Nc3ccccn3)n2)CC1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide?
The InChIKey is VOUHGWMSRMOEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-19(20-8-3-2-4-9-20)27-25(31)18-30-16-13-21(14-17-30)22-10-7-12-24(28-22)29-23-11-5-6-15-26-23/h2-12,15,19,21H,13-14,16-18H2,1H3,(H,27,31)(H,26,28,29).
What are the key properties of N-(1-phenylethyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide?
N-(1-phenylethyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide has a molecular weight of 415.54 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 110111181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).