N-propyl-2-pyridin-2-yl-1-pyridin-4-ylpropan-1-amine

C16H21N3 — CID 66447627

IUPACN-propyl-2-pyridin-2-yl-1-pyridin-4-ylpropan-1-amine
SMILESCCCNC(c1ccncc1)C(C)c1ccccn1
InChIInChI=1S/C16H21N3/c1-3-9-19-16(14-7-11-17-12-8-14)13(2)15-6-4-5-10-18-15/h4-8,10-13,16,19H,3,9H2,1-2H3
InChIKeyUQKRZYVPTZRRMZ-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.32
Rot. Bonds6

About N-propyl-2-pyridin-2-yl-1-pyridin-4-ylpropan-1-amine

N-propyl-2-pyridin-2-yl-1-pyridin-4-ylpropan-1-amine (PubChem CID 66447627) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-propyl-2-pyridin-2-yl-1-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-propyl-2-pyridin-2-yl-1-pyridin-4-ylpropan-1-amine
PubChem CID66447627
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-propyl-2-pyridin-2-yl-1-pyridin-4-ylpropan-1-amine
SMILESCCCNC(c1ccncc1)C(C)c1ccccn1
InChIInChI=1S/C16H21N3/c1-3-9-19-16(14-7-11-17-12-8-14)13(2)15-6-4-5-10-18-15/h4-8,10-13,16,19H,3,9H2,1-2H3
InChIKeyUQKRZYVPTZRRMZ-UHFFFAOYSA-N
XLogP3.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66448538
1-(3,4-difluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 66447426
1-(2-methylfuran-3-yl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 66448009
N-propyl-2-pyridin-2-yl-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
CID 66446839
N,4-dipropyl-2-pyridin-2-ylheptan-3-amine
CID 82987036
1-(4-iodophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66446199
1-(4-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66447962
1-(2-bromo-5-methylphenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 81112033
1-(2-bromo-5-fluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 66447432
2,2-difluoro-N-propyl-4-pyridin-2-ylpentan-3-amine
CID 114249556
1-(4-methylsulfanylphenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 79213623
5,5-dimethyl-N-propyl-2-pyridin-2-ylhexan-3-amine
CID 66447424

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-pyridin-2-yl-1-pyridin-4-ylpropan-1-amine?
The IUPAC name of N-propyl-2-pyridin-2-yl-1-pyridin-4-ylpropan-1-amine (CID 66447627) is N-propyl-2-pyridin-2-yl-1-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for N-propyl-2-pyridin-2-yl-1-pyridin-4-ylpropan-1-amine?
The canonical SMILES for N-propyl-2-pyridin-2-yl-1-pyridin-4-ylpropan-1-amine is CCCNC(c1ccncc1)C(C)c1ccccn1.
What is the InChIKey of N-propyl-2-pyridin-2-yl-1-pyridin-4-ylpropan-1-amine?
The InChIKey is UQKRZYVPTZRRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-9-19-16(14-7-11-17-12-8-14)13(2)15-6-4-5-10-18-15/h4-8,10-13,16,19H,3,9H2,1-2H3.
What are the key properties of N-propyl-2-pyridin-2-yl-1-pyridin-4-ylpropan-1-amine?
N-propyl-2-pyridin-2-yl-1-pyridin-4-ylpropan-1-amine has a molecular weight of 255.37 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-pyridin-2-yl-1-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 66447627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).