N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine

C18H25N5 — CID 26316419

IUPACN-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccnc1N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H25N5/c1-15(2)21-14-16-6-5-9-20-18(16)23-12-10-22(11-13-23)17-7-3-4-8-19-17/h3-9,15,21H,10-14H2,1-2H3
InChIKeyQMTZWPAHRFSKQC-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.30
Rot. Bonds5

About N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine

N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 26316419) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
PubChem CID26316419
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC NameN-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccnc1N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H25N5/c1-15(2)21-14-16-6-5-9-20-18(16)23-12-10-22(11-13-23)17-7-3-4-8-19-17/h3-9,15,21H,10-14H2,1-2H3
InChIKeyQMTZWPAHRFSKQC-UHFFFAOYSA-N
XLogP2.30
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-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

(2S)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(tetrazol-1-yl)propanamide
CID 56746760
N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propan-2-amine
CID 62592659
(2S)-1-methyl-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]azepane-2-carboxamide
CID 25461455
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 25454870
2-fluoro-3-[[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]methyl]phenol
CID 167988142
3-(propan-2-ylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60854319
N-[[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-pyridinyl]methyl]propan-2-amine
CID 102728402
N-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62294590
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propan-2-amine
CID 62293447
N-[[2-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62295446
2-methyl-1-(propan-2-ylamino)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 66336663
1-phenyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]butan-1-amine
CID 136551934

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine (CID 26316419) is N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cccnc1N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is QMTZWPAHRFSKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-15(2)21-14-16-6-5-9-20-18(16)23-12-10-22(11-13-23)17-7-3-4-8-19-17/h3-9,15,21H,10-14H2,1-2H3.
What are the key properties of N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 311.43 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 26316419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).