benzyl-[2-[1-[2-(pyridin-4-ylamino)pyrimidin-4-yl]piperidin-4-yl]ethyl]carbamic acid

C24H28N6O2 — CID 155099792

IUPACbenzyl-[2-[1-[2-(pyridin-4-ylamino)pyrimidin-4-yl]piperidin-4-yl]ethyl]carbamic acid
SMILESO=C(O)N(CCC1CCN(c2ccnc(Nc3ccncc3)n2)CC1)Cc1ccccc1
InChIInChI=1S/C24H28N6O2/c31-24(32)30(18-20-4-2-1-3-5-20)17-11-19-9-15-29(16-10-19)22-8-14-26-23(28-22)27-21-6-12-25-13-7-21/h1-8,12-14,19H,9-11,15-18H2,(H,31,32)(H,25,26,27,28)
InChIKeyHRLVPWKPHDZRBW-UHFFFAOYSA-N
MW432.53 g/mol
LogP4.40
Rot. Bonds8

About benzyl-[2-[1-[2-(pyridin-4-ylamino)pyrimidin-4-yl]piperidin-4-yl]ethyl]carbamic acid

benzyl-[2-[1-[2-(pyridin-4-ylamino)pyrimidin-4-yl]piperidin-4-yl]ethyl]carbamic acid (PubChem CID 155099792) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is benzyl-[2-[1-[2-(pyridin-4-ylamino)pyrimidin-4-yl]piperidin-4-yl]ethyl]carbamic acid.

Molecular Properties

Compound Namebenzyl-[2-[1-[2-(pyridin-4-ylamino)pyrimidin-4-yl]piperidin-4-yl]ethyl]carbamic acid
PubChem CID155099792
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Namebenzyl-[2-[1-[2-(pyridin-4-ylamino)pyrimidin-4-yl]piperidin-4-yl]ethyl]carbamic acid
SMILESO=C(O)N(CCC1CCN(c2ccnc(Nc3ccncc3)n2)CC1)Cc1ccccc1
InChIInChI=1S/C24H28N6O2/c31-24(32)30(18-20-4-2-1-3-5-20)17-11-19-9-15-29(16-10-19)22-8-14-26-23(28-22)27-21-6-12-25-13-7-21/h1-8,12-14,19H,9-11,15-18H2,(H,31,32)(H,25,26,27,28)
InChIKeyHRLVPWKPHDZRBW-UHFFFAOYSA-N
XLogP4.40
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze benzyl-[2-[1-[2-(pyridin-4-ylamino)pyrimidin-4-yl]piperidin-4-yl]ethyl]carbamic acid 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

2-[1-[2-(pyridin-4-ylamino)pyrimidin-4-yl]piperidin-4-yl]ethylsulfamoyl carbamate
CID 175042394
1-N-[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 112900775
4-(4-morpholin-4-ylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
CID 58432936
1-[2-(3-phenylpropylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193957
4-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883410
2-(1-isoquinolin-1-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid
CID 67136222
N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898748
1-[2-(2-chloroanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113194000
2-[1-[4-[[4-(benzylamino)-5-formylpyrimidin-2-yl]amino]phenyl]piperidin-4-yl]ethyl-tert-butylcarbamic acid
CID 87381383
1-[2-(2-ethylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193987
(2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid
CID 67136648
2-[1-(2-hydrazinylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 80904290

Frequently Asked Questions

What is the IUPAC name of benzyl-[2-[1-[2-(pyridin-4-ylamino)pyrimidin-4-yl]piperidin-4-yl]ethyl]carbamic acid?
The IUPAC name of benzyl-[2-[1-[2-(pyridin-4-ylamino)pyrimidin-4-yl]piperidin-4-yl]ethyl]carbamic acid (CID 155099792) is benzyl-[2-[1-[2-(pyridin-4-ylamino)pyrimidin-4-yl]piperidin-4-yl]ethyl]carbamic acid.
What is the SMILES notation for benzyl-[2-[1-[2-(pyridin-4-ylamino)pyrimidin-4-yl]piperidin-4-yl]ethyl]carbamic acid?
The canonical SMILES for benzyl-[2-[1-[2-(pyridin-4-ylamino)pyrimidin-4-yl]piperidin-4-yl]ethyl]carbamic acid is O=C(O)N(CCC1CCN(c2ccnc(Nc3ccncc3)n2)CC1)Cc1ccccc1.
What is the InChIKey of benzyl-[2-[1-[2-(pyridin-4-ylamino)pyrimidin-4-yl]piperidin-4-yl]ethyl]carbamic acid?
The InChIKey is HRLVPWKPHDZRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c31-24(32)30(18-20-4-2-1-3-5-20)17-11-19-9-15-29(16-10-19)22-8-14-26-23(28-22)27-21-6-12-25-13-7-21/h1-8,12-14,19H,9-11,15-18H2,(H,31,32)(H,25,26,27,28).
What are the key properties of benzyl-[2-[1-[2-(pyridin-4-ylamino)pyrimidin-4-yl]piperidin-4-yl]ethyl]carbamic acid?
benzyl-[2-[1-[2-(pyridin-4-ylamino)pyrimidin-4-yl]piperidin-4-yl]ethyl]carbamic acid has a molecular weight of 432.53 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[2-[1-[2-(pyridin-4-ylamino)pyrimidin-4-yl]piperidin-4-yl]ethyl]carbamic acid is sourced from PubChem (CID 155099792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).