1,1-diphenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine

C25H29N3 — CID 167851736

IUPAC1,1-diphenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine
SMILESCC(NCc1ccc(N2CCCC2)nc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29N3/c1-20(25(22-10-4-2-5-11-22)23-12-6-3-7-13-23)26-18-21-14-15-24(27-19-21)28-16-8-9-17-28/h2-7,10-15,19-20,25-26H,8-9,16-18H2,1H3
InChIKeyAEQDISZSLDIPSB-UHFFFAOYSA-N
MW371.53 g/mol
LogP4.99
Rot. Bonds7

About 1,1-diphenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine

1,1-diphenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine (PubChem CID 167851736) has the molecular formula C25H29N3 and a molecular weight of 371.53 g/mol. Its IUPAC name is 1,1-diphenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1,1-diphenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine
PubChem CID167851736
Molecular FormulaC25H29N3
Molecular Weight371.53 g/mol
Exact Mass371.24
IUPAC Name1,1-diphenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine
SMILESCC(NCc1ccc(N2CCCC2)nc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29N3/c1-20(25(22-10-4-2-5-11-22)23-12-6-3-7-13-23)26-18-21-14-15-24(27-19-21)28-16-8-9-17-28/h2-7,10-15,19-20,25-26H,8-9,16-18H2,1H3
InChIKeyAEQDISZSLDIPSB-UHFFFAOYSA-N
XLogP4.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propanoic acid
CID 120511564
1-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol
CID 75379570
2-amino-2-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 119399543
3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119846505
N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62279303
N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine
CID 62280369
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-benzhydrylurea
CID 60546666
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]ethanamine
CID 119139036
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 55054509
1,1-di(cyclobutyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanamine
CID 100752528
2-(4-ethylphenyl)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol
CID 109380363
1-[2-(dimethylamino)-2-phenylethyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 55739594

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine?
The IUPAC name of 1,1-diphenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine (CID 167851736) is 1,1-diphenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for 1,1-diphenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for 1,1-diphenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine is CC(NCc1ccc(N2CCCC2)nc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine?
The InChIKey is AEQDISZSLDIPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3/c1-20(25(22-10-4-2-5-11-22)23-12-6-3-7-13-23)26-18-21-14-15-24(27-19-21)28-16-8-9-17-28/h2-7,10-15,19-20,25-26H,8-9,16-18H2,1H3.
What are the key properties of 1,1-diphenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine?
1,1-diphenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine has a molecular weight of 371.53 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 167851736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).