(6-imidazol-1-yl-3-pyridinyl)-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone

C19H20N6O — CID 110105665

IUPAC(6-imidazol-1-yl-3-pyridinyl)-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCNc1cc(C2CCCN2C(=O)c2ccc(-n3ccnc3)nc2)ccn1
InChIInChI=1S/C19H20N6O/c1-20-17-11-14(6-7-22-17)16-3-2-9-25(16)19(26)15-4-5-18(23-12-15)24-10-8-21-13-24/h4-8,10-13,16H,2-3,9H2,1H3,(H,20,22)
InChIKeyAYIFGPFURJNOHM-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.68
Rot. Bonds4

About (6-imidazol-1-yl-3-pyridinyl)-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone

(6-imidazol-1-yl-3-pyridinyl)-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone (PubChem CID 110105665) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is (6-imidazol-1-yl-3-pyridinyl)-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-imidazol-1-yl-3-pyridinyl)-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
PubChem CID110105665
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name(6-imidazol-1-yl-3-pyridinyl)-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCNc1cc(C2CCCN2C(=O)c2ccc(-n3ccnc3)nc2)ccn1
InChIInChI=1S/C19H20N6O/c1-20-17-11-14(6-7-22-17)16-3-2-9-25(16)19(26)15-4-5-18(23-12-15)24-10-8-21-13-24/h4-8,10-13,16H,2-3,9H2,1H3,(H,20,22)
InChIKeyAYIFGPFURJNOHM-UHFFFAOYSA-N
XLogP2.68
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6-imidazol-1-yl-3-pyridinyl)-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 125001597
(2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 78921306
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124948233
3-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,3-benzoxazol-2-one
CID 118741479
ethyl (2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 97314443
2-cyclopropyl-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 124989627
[(4R)-4-hydroxyazepan-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 129353584
3-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 110105582
(5-methyl-3-pyridinyl)-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 110111645
(4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 43417527
2-cyclopentyl-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 127246703
(4-chloro-1-propylpyrazol-3-yl)-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 125012953

Frequently Asked Questions

What is the IUPAC name of (6-imidazol-1-yl-3-pyridinyl)-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (6-imidazol-1-yl-3-pyridinyl)-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone (CID 110105665) is (6-imidazol-1-yl-3-pyridinyl)-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-imidazol-1-yl-3-pyridinyl)-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (6-imidazol-1-yl-3-pyridinyl)-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone is CNc1cc(C2CCCN2C(=O)c2ccc(-n3ccnc3)nc2)ccn1.
What is the InChIKey of (6-imidazol-1-yl-3-pyridinyl)-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone?
The InChIKey is AYIFGPFURJNOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-20-17-11-14(6-7-22-17)16-3-2-9-25(16)19(26)15-4-5-18(23-12-15)24-10-8-21-13-24/h4-8,10-13,16H,2-3,9H2,1H3,(H,20,22).
What are the key properties of (6-imidazol-1-yl-3-pyridinyl)-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone?
(6-imidazol-1-yl-3-pyridinyl)-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone has a molecular weight of 348.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-imidazol-1-yl-3-pyridinyl)-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110105665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).