N-[1-[5-[acetyl(methyl)amino]pyrimidin-2-yl]piperidin-4-yl]-4-furo[3,2-c]pyridin-4-ylbenzamide

C26H26N6O3 — CID 166900978

IUPACN-[1-[5-[acetyl(methyl)amino]pyrimidin-2-yl]piperidin-4-yl]-4-furo[3,2-c]pyridin-4-ylbenzamide
SMILESCC(=O)N(C)c1cnc(N2CCC(NC(=O)c3ccc(-c4nccc5occc45)cc3)CC2)nc1
InChIInChI=1S/C26H26N6O3/c1-17(33)31(2)21-15-28-26(29-16-21)32-12-8-20(9-13-32)30-25(34)19-5-3-18(4-6-19)24-22-10-14-35-23(22)7-11-27-24/h3-7,10-11,14-16,20H,8-9,12-13H2,1-2H3,(H,30,34)
InChIKeyIIEBOKWFKLYRHF-UHFFFAOYSA-N
MW470.53 g/mol
LogP3.67
Rot. Bonds5

About N-[1-[5-[acetyl(methyl)amino]pyrimidin-2-yl]piperidin-4-yl]-4-furo[3,2-c]pyridin-4-ylbenzamide

N-[1-[5-[acetyl(methyl)amino]pyrimidin-2-yl]piperidin-4-yl]-4-furo[3,2-c]pyridin-4-ylbenzamide (PubChem CID 166900978) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is N-[1-[5-[acetyl(methyl)amino]pyrimidin-2-yl]piperidin-4-yl]-4-furo[3,2-c]pyridin-4-ylbenzamide.

Molecular Properties

Compound NameN-[1-[5-[acetyl(methyl)amino]pyrimidin-2-yl]piperidin-4-yl]-4-furo[3,2-c]pyridin-4-ylbenzamide
PubChem CID166900978
Molecular FormulaC26H26N6O3
Molecular Weight470.53 g/mol
Exact Mass470.21
IUPAC NameN-[1-[5-[acetyl(methyl)amino]pyrimidin-2-yl]piperidin-4-yl]-4-furo[3,2-c]pyridin-4-ylbenzamide
SMILESCC(=O)N(C)c1cnc(N2CCC(NC(=O)c3ccc(-c4nccc5occc45)cc3)CC2)nc1
InChIInChI=1S/C26H26N6O3/c1-17(33)31(2)21-15-28-26(29-16-21)32-12-8-20(9-13-32)30-25(34)19-5-3-18(4-6-19)24-22-10-14-35-23(22)7-11-27-24/h3-7,10-11,14-16,20H,8-9,12-13H2,1-2H3,(H,30,34)
InChIKeyIIEBOKWFKLYRHF-UHFFFAOYSA-N
XLogP3.67
TPSA104.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[5-[acetyl(methyl)amino]pyrimidin-2-yl]piperidin-4-yl]-4-furo[3,2-c]pyridin-4-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-furo[3,2-c]pyridin-4-yl-N-[1-[5-(methylamino)pyrimidin-2-yl]piperidin-4-yl]benzamide
CID 166901154
4-ethyl-2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid
CID 170173451
4-furo[3,2-c]pyridin-4-yl-N-[(3S)-1-[5-(hydroxymethyl)pyrimidin-2-yl]pyrrolidin-3-yl]benzamide
CID 162519560
(3R)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]pyrrolidine-1-carboxylic acid
CID 170171245
4-furo[3,2-c]pyridin-4-yl-N-(1-pyridazin-3-ylpiperidin-4-yl)benzamide
CID 162519533
4-furo[3,2-c]pyridin-4-yl-N-pyrrolidin-3-ylbenzamide
CID 166900825
ethyl 2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]-1,3-oxazole-5-carboxylate
CID 169304015
4-furo[3,2-c]pyridin-4-yl-N-[4-(1-hydroxyethyl)cyclohexyl]benzamide
CID 162519495
trans-(1S,3S)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 170170991
4-furo[3,2-c]pyridin-4-yl-N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]benzamide
CID 166900969
N-[4-(difluoromethyl)cyclohexyl]-4-furo[3,2-c]pyridin-4-ylbenzamide
CID 166900588
4-furo[3,2-c]pyridin-4-yl-N-[4-(2-methoxyethylamino)cyclohexyl]benzamide
CID 162519539

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[acetyl(methyl)amino]pyrimidin-2-yl]piperidin-4-yl]-4-furo[3,2-c]pyridin-4-ylbenzamide?
The IUPAC name of N-[1-[5-[acetyl(methyl)amino]pyrimidin-2-yl]piperidin-4-yl]-4-furo[3,2-c]pyridin-4-ylbenzamide (CID 166900978) is N-[1-[5-[acetyl(methyl)amino]pyrimidin-2-yl]piperidin-4-yl]-4-furo[3,2-c]pyridin-4-ylbenzamide.
What is the SMILES notation for N-[1-[5-[acetyl(methyl)amino]pyrimidin-2-yl]piperidin-4-yl]-4-furo[3,2-c]pyridin-4-ylbenzamide?
The canonical SMILES for N-[1-[5-[acetyl(methyl)amino]pyrimidin-2-yl]piperidin-4-yl]-4-furo[3,2-c]pyridin-4-ylbenzamide is CC(=O)N(C)c1cnc(N2CCC(NC(=O)c3ccc(-c4nccc5occc45)cc3)CC2)nc1.
What is the InChIKey of N-[1-[5-[acetyl(methyl)amino]pyrimidin-2-yl]piperidin-4-yl]-4-furo[3,2-c]pyridin-4-ylbenzamide?
The InChIKey is IIEBOKWFKLYRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3/c1-17(33)31(2)21-15-28-26(29-16-21)32-12-8-20(9-13-32)30-25(34)19-5-3-18(4-6-19)24-22-10-14-35-23(22)7-11-27-24/h3-7,10-11,14-16,20H,8-9,12-13H2,1-2H3,(H,30,34).
What are the key properties of N-[1-[5-[acetyl(methyl)amino]pyrimidin-2-yl]piperidin-4-yl]-4-furo[3,2-c]pyridin-4-ylbenzamide?
N-[1-[5-[acetyl(methyl)amino]pyrimidin-2-yl]piperidin-4-yl]-4-furo[3,2-c]pyridin-4-ylbenzamide has a molecular weight of 470.53 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[acetyl(methyl)amino]pyrimidin-2-yl]piperidin-4-yl]-4-furo[3,2-c]pyridin-4-ylbenzamide is sourced from PubChem (CID 166900978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).