N-[(3-cyclopropylimidazol-4-yl)methyl]-2-methylpyridin-3-amine

C13H16N4 — CID 79041997

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-2-methylpyridin-3-amine
SMILESCc1ncccc1NCc1cncn1C1CC1
InChIInChI=1S/C13H16N4/c1-10-13(3-2-6-15-10)16-8-12-7-14-9-17(12)11-4-5-11/h2-3,6-7,9,11,16H,4-5,8H2,1H3
InChIKeyOTISPYLHURBBJE-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.53
Rot. Bonds4

About N-[(3-cyclopropylimidazol-4-yl)methyl]-2-methylpyridin-3-amine

N-[(3-cyclopropylimidazol-4-yl)methyl]-2-methylpyridin-3-amine (PubChem CID 79041997) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-2-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-2-methylpyridin-3-amine
PubChem CID79041997
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-2-methylpyridin-3-amine
SMILESCc1ncccc1NCc1cncn1C1CC1
InChIInChI=1S/C13H16N4/c1-10-13(3-2-6-15-10)16-8-12-7-14-9-17(12)11-4-5-11/h2-3,6-7,9,11,16H,4-5,8H2,1H3
InChIKeyOTISPYLHURBBJE-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-methylpyridin-3-amine?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-methylpyridin-3-amine (CID 79041997) is N-[(3-cyclopropylimidazol-4-yl)methyl]-2-methylpyridin-3-amine.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-2-methylpyridin-3-amine?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-2-methylpyridin-3-amine is Cc1ncccc1NCc1cncn1C1CC1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-methylpyridin-3-amine?
The InChIKey is OTISPYLHURBBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-10-13(3-2-6-15-10)16-8-12-7-14-9-17(12)11-4-5-11/h2-3,6-7,9,11,16H,4-5,8H2,1H3.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-methylpyridin-3-amine?
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-methylpyridin-3-amine has a molecular weight of 228.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazol-4-yl)methyl]-2-methylpyridin-3-amine is sourced from PubChem (CID 79041997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).