N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide

C26H28N6O2 — CID 110076601

IUPACN-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide
SMILESCN(CC1(O)CCCN(c2ccnc3ccncc23)C1)C(=O)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C26H28N6O2/c1-30(25(33)21-6-2-5-20(15-21)17-32-14-4-10-29-32)18-26(34)9-3-13-31(19-26)24-8-12-28-23-7-11-27-16-22(23)24/h2,4-8,10-12,14-16,34H,3,9,13,17-19H2,1H3
InChIKeyIMPKORTWKYLVFM-UHFFFAOYSA-N
MW456.55 g/mol
LogP2.98
Rot. Bonds6

About N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide

N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide (PubChem CID 110076601) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide
PubChem CID110076601
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC NameN-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide
SMILESCN(CC1(O)CCCN(c2ccnc3ccncc23)C1)C(=O)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C26H28N6O2/c1-30(25(33)21-6-2-5-20(15-21)17-32-14-4-10-29-32)18-26(34)9-3-13-31(19-26)24-8-12-28-23-7-11-27-16-22(23)24/h2,4-8,10-12,14-16,34H,3,9,13,17-19H2,1H3
InChIKeyIMPKORTWKYLVFM-UHFFFAOYSA-N
XLogP2.98
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(aminomethyl)-N-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbenzamide
CID 124998585
4-(aminomethyl)-N-[[(3S)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbenzamide
CID 124956692
3-[2-(dimethylamino)ethoxy]-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbenzamide
CID 132779791
3-(3-aminopropoxy)-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbenzamide
CID 110153924
4-[[(3S)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-4-oxobutanoic acid
CID 124972772
4-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-4-oxobutanoic acid
CID 124972771
4-(3-aminopropoxy)-N-[[(3S)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbenzamide
CID 124976596
4-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-4-oxobut-2-enoic acid
CID 171146929
4-[(2-amino-6-methylpyrimidin-4-yl)amino]-N-[[(3S)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbenzamide
CID 124940960
4-amino-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbutanamide
CID 110153899
4-amino-N-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbutanamide
CID 125020027
N-[[(3S)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methyl-4-pyrrolidin-1-ylbutanamide
CID 124944586

Frequently Asked Questions

What is the IUPAC name of N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide (CID 110076601) is N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide is CN(CC1(O)CCCN(c2ccnc3ccncc23)C1)C(=O)c1cccc(Cn2cccn2)c1.
What is the InChIKey of N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is IMPKORTWKYLVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-30(25(33)21-6-2-5-20(15-21)17-32-14-4-10-29-32)18-26(34)9-3-13-31(19-26)24-8-12-28-23-7-11-27-16-22(23)24/h2,4-8,10-12,14-16,34H,3,9,13,17-19H2,1H3.
What are the key properties of N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide?
N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 456.55 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 110076601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).