N-(2-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine

C16H21N5 — CID 72912791

IUPACN-(2-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine
SMILESc1cnc(N2CCC(NCCc3cccnc3)CC2)nc1
InChIInChI=1S/C16H21N5/c1-3-14(13-17-7-1)4-10-18-15-5-11-21(12-6-15)16-19-8-2-9-20-16/h1-3,7-9,13,15,18H,4-6,10-12H2
InChIKeyYXCKPFOXWSLZAG-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.67
Rot. Bonds5

About N-(2-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine

N-(2-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine (PubChem CID 72912791) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(2-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine
PubChem CID72912791
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC NameN-(2-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine
SMILESc1cnc(N2CCC(NCCc3cccnc3)CC2)nc1
InChIInChI=1S/C16H21N5/c1-3-14(13-17-7-1)4-10-18-15-5-11-21(12-6-15)16-19-8-2-9-20-16/h1-3,7-9,13,15,18H,4-6,10-12H2
InChIKeyYXCKPFOXWSLZAG-UHFFFAOYSA-N
XLogP1.67
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine 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

N-(2-pyridin-3-ylethyl)oxepan-4-amine
CID 65082158
N-(pyridin-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675588
N-(2-phenylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675384
N-(2-pyridin-3-ylethyl)thian-3-amine
CID 62871449
N-(pyrazin-2-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 62761801
N-(1-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675618
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(3-pyridin-3-ylpropyl)azepan-4-amine
CID 45196940
N-[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]pyrimidin-2-amine
CID 172881578
2-(cyclopentylamino)-N-(2-pyridin-3-ylethyl)acetamide
CID 60912902
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentanamine
CID 60849987
N-(pyridin-3-ylmethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112952345

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine?
The IUPAC name of N-(2-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine (CID 72912791) is N-(2-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(2-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine?
The canonical SMILES for N-(2-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine is c1cnc(N2CCC(NCCc3cccnc3)CC2)nc1.
What is the InChIKey of N-(2-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine?
The InChIKey is YXCKPFOXWSLZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-3-14(13-17-7-1)4-10-18-15-5-11-21(12-6-15)16-19-8-2-9-20-16/h1-3,7-9,13,15,18H,4-6,10-12H2.
What are the key properties of N-(2-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine?
N-(2-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine has a molecular weight of 283.38 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine is sourced from PubChem (CID 72912791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).