N-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide

C29H35N5O4 — CID 110154612

IUPACN-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide
SMILESCc1cc(N2CCC(O)(CN(C)C(=O)c3ccc(OCCN4CCCC4=O)cc3)CC2)c2cnccc2n1
InChIInChI=1S/C29H35N5O4/c1-21-18-26(24-19-30-12-9-25(24)31-21)33-14-10-29(37,11-15-33)20-32(2)28(36)22-5-7-23(8-6-22)38-17-16-34-13-3-4-27(34)35/h5-9,12,18-19,37H,3-4,10-11,13-17,20H2,1-2H3
InChIKeyJEVUERLTZYAPBH-UHFFFAOYSA-N
MW517.63 g/mol
LogP3.04
Rot. Bonds8

About N-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide

N-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide (PubChem CID 110154612) has the molecular formula C29H35N5O4 and a molecular weight of 517.63 g/mol. Its IUPAC name is N-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide.

Molecular Properties

Compound NameN-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide
PubChem CID110154612
Molecular FormulaC29H35N5O4
Molecular Weight517.63 g/mol
Exact Mass517.27
IUPAC NameN-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide
SMILESCc1cc(N2CCC(O)(CN(C)C(=O)c3ccc(OCCN4CCCC4=O)cc3)CC2)c2cnccc2n1
InChIInChI=1S/C29H35N5O4/c1-21-18-26(24-19-30-12-9-25(24)31-21)33-14-10-29(37,11-15-33)20-32(2)28(36)22-5-7-23(8-6-22)38-17-16-34-13-3-4-27(34)35/h5-9,12,18-19,37H,3-4,10-11,13-17,20H2,1-2H3
InChIKeyJEVUERLTZYAPBH-UHFFFAOYSA-N
XLogP3.04
TPSA99.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.63
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide
CID 124994107
4-(2-aminoethoxy)-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbenzamide
CID 124994678
4-(2-aminoethoxy)-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbenzamide
CID 110154270
4-(aminomethyl)-N-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide
CID 110154607
4-(2-aminoethoxy)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide
CID 110153965
2-[4-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl-methylcarbamoyl]phenoxy]acetic acid
CID 110153983
(2S)-2-amino-5-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl-methylamino]-5-oxopentanoic acid
CID 110154597
N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110163496
4-(aminomethyl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide
CID 110153954
4-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl-methylamino]-4-oxobutanoic acid
CID 124943896
4-(3-aminopropoxy)-N-[[(3S)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbenzamide
CID 124976596
2-[1-[2-[[(3S)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl-methylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 124940127

Frequently Asked Questions

What is the IUPAC name of N-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide?
The IUPAC name of N-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide (CID 110154612) is N-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide.
What is the SMILES notation for N-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide?
The canonical SMILES for N-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide is Cc1cc(N2CCC(O)(CN(C)C(=O)c3ccc(OCCN4CCCC4=O)cc3)CC2)c2cnccc2n1.
What is the InChIKey of N-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide?
The InChIKey is JEVUERLTZYAPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O4/c1-21-18-26(24-19-30-12-9-25(24)31-21)33-14-10-29(37,11-15-33)20-32(2)28(36)22-5-7-23(8-6-22)38-17-16-34-13-3-4-27(34)35/h5-9,12,18-19,37H,3-4,10-11,13-17,20H2,1-2H3.
What are the key properties of N-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide?
N-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide has a molecular weight of 517.63 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide is sourced from PubChem (CID 110154612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).