N-(2-pyridin-4-ylethyl)-5-(pyrrolidin-3-ylmethyl)pyridin-2-amine

C17H22N4 — CID 110257850

IUPACN-(2-pyridin-4-ylethyl)-5-(pyrrolidin-3-ylmethyl)pyridin-2-amine
SMILESc1cc(CCNc2ccc(CC3CCNC3)cn2)ccn1
InChIInChI=1S/C17H22N4/c1-2-17(20-10-6-14-3-7-18-8-4-14)21-13-15(1)11-16-5-9-19-12-16/h1-4,7-8,13,16,19H,5-6,9-12H2,(H,20,21)
InChIKeyPMJQQMXLQXMYEE-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.28
Rot. Bonds6

About N-(2-pyridin-4-ylethyl)-5-(pyrrolidin-3-ylmethyl)pyridin-2-amine

N-(2-pyridin-4-ylethyl)-5-(pyrrolidin-3-ylmethyl)pyridin-2-amine (PubChem CID 110257850) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(2-pyridin-4-ylethyl)-5-(pyrrolidin-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-pyridin-4-ylethyl)-5-(pyrrolidin-3-ylmethyl)pyridin-2-amine
PubChem CID110257850
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-(2-pyridin-4-ylethyl)-5-(pyrrolidin-3-ylmethyl)pyridin-2-amine
SMILESc1cc(CCNc2ccc(CC3CCNC3)cn2)ccn1
InChIInChI=1S/C17H22N4/c1-2-17(20-10-6-14-3-7-18-8-4-14)21-13-15(1)11-16-5-9-19-12-16/h1-4,7-8,13,16,19H,5-6,9-12H2,(H,20,21)
InChIKeyPMJQQMXLQXMYEE-UHFFFAOYSA-N
XLogP2.28
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-5-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine
CID 95846447
4-(2-pyrrolidin-3-ylethyl)pyridine
CID 83481928
4-(2-pyrrolidin-3-ylethyl)pyridine;dihydrochloride
CID 126845941
5-bromo-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 60904047
2-imidazol-1-yl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyridine
CID 124980656
4-N-methyl-4-N-(piperidin-4-ylmethyl)-6-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 141132564
6-(2-pyridin-4-ylethylamino)pyridine-3-carboxylic acid
CID 60903457
5-pyridin-4-yl-N-(2-pyrrolidin-3-ylethyl)pyrimidin-2-amine
CID 116975968
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434
2-bromo-5-[[(3S)-piperidin-3-yl]methyl]pyridine
CID 130804072
8-(pyrrolidin-3-ylmethyl)-5H-pyrido[4,3-b]indole
CID 116985837
2-(5-methyl-1H-pyrazol-3-yl)-5-(pyrrolidin-3-ylmethyl)pyridine
CID 110102053

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-4-ylethyl)-5-(pyrrolidin-3-ylmethyl)pyridin-2-amine?
The IUPAC name of N-(2-pyridin-4-ylethyl)-5-(pyrrolidin-3-ylmethyl)pyridin-2-amine (CID 110257850) is N-(2-pyridin-4-ylethyl)-5-(pyrrolidin-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-(2-pyridin-4-ylethyl)-5-(pyrrolidin-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-(2-pyridin-4-ylethyl)-5-(pyrrolidin-3-ylmethyl)pyridin-2-amine is c1cc(CCNc2ccc(CC3CCNC3)cn2)ccn1.
What is the InChIKey of N-(2-pyridin-4-ylethyl)-5-(pyrrolidin-3-ylmethyl)pyridin-2-amine?
The InChIKey is PMJQQMXLQXMYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-17(20-10-6-14-3-7-18-8-4-14)21-13-15(1)11-16-5-9-19-12-16/h1-4,7-8,13,16,19H,5-6,9-12H2,(H,20,21).
What are the key properties of N-(2-pyridin-4-ylethyl)-5-(pyrrolidin-3-ylmethyl)pyridin-2-amine?
N-(2-pyridin-4-ylethyl)-5-(pyrrolidin-3-ylmethyl)pyridin-2-amine has a molecular weight of 282.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-4-ylethyl)-5-(pyrrolidin-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 110257850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).