(3S,4R)-4-(1-methylimidazol-4-yl)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-amine

C14H19N5 — CID 167765004

IUPAC(3S,4R)-4-(1-methylimidazol-4-yl)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-amine
SMILESCc1cccc(N2C[C@@H](N)[C@H](c3cn(C)cn3)C2)n1
InChIInChI=1S/C14H19N5/c1-10-4-3-5-14(17-10)19-6-11(12(15)7-19)13-8-18(2)9-16-13/h3-5,8-9,11-12H,6-7,15H2,1-2H3/t11-,12-/m1/s1
InChIKeyBSXBITFWAHXKBP-VXGBXAGGSA-N
MW257.34 g/mol
LogP1.05
Rot. Bonds2

About (3S,4R)-4-(1-methylimidazol-4-yl)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-amine

(3S,4R)-4-(1-methylimidazol-4-yl)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-amine (PubChem CID 167765004) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is (3S,4R)-4-(1-methylimidazol-4-yl)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-(1-methylimidazol-4-yl)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-amine
PubChem CID167765004
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name(3S,4R)-4-(1-methylimidazol-4-yl)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-amine
SMILESCc1cccc(N2C[C@@H](N)[C@H](c3cn(C)cn3)C2)n1
InChIInChI=1S/C14H19N5/c1-10-4-3-5-14(17-10)19-6-11(12(15)7-19)13-8-18(2)9-16-13/h3-5,8-9,11-12H,6-7,15H2,1-2H3/t11-,12-/m1/s1
InChIKeyBSXBITFWAHXKBP-VXGBXAGGSA-N
XLogP1.05
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(1-methylimidazol-4-yl)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-(1-methylimidazol-4-yl)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-amine (CID 167765004) is (3S,4R)-4-(1-methylimidazol-4-yl)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-(1-methylimidazol-4-yl)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-(1-methylimidazol-4-yl)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-amine is Cc1cccc(N2C[C@@H](N)[C@H](c3cn(C)cn3)C2)n1.
What is the InChIKey of (3S,4R)-4-(1-methylimidazol-4-yl)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-amine?
The InChIKey is BSXBITFWAHXKBP-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H19N5/c1-10-4-3-5-14(17-10)19-6-11(12(15)7-19)13-8-18(2)9-16-13/h3-5,8-9,11-12H,6-7,15H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (3S,4R)-4-(1-methylimidazol-4-yl)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-amine?
(3S,4R)-4-(1-methylimidazol-4-yl)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-amine has a molecular weight of 257.34 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(1-methylimidazol-4-yl)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-amine is sourced from PubChem (CID 167765004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).