N-(cyclopropylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine

C13H16N4 — CID 54863456

IUPACN-(cyclopropylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine
SMILESCc1nccn1-c1ncccc1NCC1CC1
InChIInChI=1S/C13H16N4/c1-10-14-7-8-17(10)13-12(3-2-6-15-13)16-9-11-4-5-11/h2-3,6-8,11,16H,4-5,9H2,1H3
InChIKeyIUSSRXJIBWGJOG-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.40
Rot. Bonds4

About N-(cyclopropylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine

N-(cyclopropylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine (PubChem CID 54863456) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine
PubChem CID54863456
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN-(cyclopropylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine
SMILESCc1nccn1-c1ncccc1NCC1CC1
InChIInChI=1S/C13H16N4/c1-10-14-7-8-17(10)13-12(3-2-6-15-13)16-9-11-4-5-11/h2-3,6-8,11,16H,4-5,9H2,1H3
InChIKeyIUSSRXJIBWGJOG-UHFFFAOYSA-N
XLogP2.40
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine?
The IUPAC name of N-(cyclopropylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine (CID 54863456) is N-(cyclopropylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-(cyclopropylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine is Cc1nccn1-c1ncccc1NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine?
The InChIKey is IUSSRXJIBWGJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-10-14-7-8-17(10)13-12(3-2-6-15-13)16-9-11-4-5-11/h2-3,6-8,11,16H,4-5,9H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine?
N-(cyclopropylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine has a molecular weight of 228.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 54863456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).