(5-chloro-6-propan-2-yloxy-3-pyridinyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone

C16H24ClN3O2 — CID 71927930

IUPAC(5-chloro-6-propan-2-yloxy-3-pyridinyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
SMILESCC(C)Oc1ncc(C(=O)N2CC(C)C(N(C)C)C2)cc1Cl
InChIInChI=1S/C16H24ClN3O2/c1-10(2)22-15-13(17)6-12(7-18-15)16(21)20-8-11(3)14(9-20)19(4)5/h6-7,10-11,14H,8-9H2,1-5H3
InChIKeyVTFDZKLVQZVKNU-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.54
Rot. Bonds4

About (5-chloro-6-propan-2-yloxy-3-pyridinyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone

(5-chloro-6-propan-2-yloxy-3-pyridinyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone (PubChem CID 71927930) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is (5-chloro-6-propan-2-yloxy-3-pyridinyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-6-propan-2-yloxy-3-pyridinyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
PubChem CID71927930
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name(5-chloro-6-propan-2-yloxy-3-pyridinyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
SMILESCC(C)Oc1ncc(C(=O)N2CC(C)C(N(C)C)C2)cc1Cl
InChIInChI=1S/C16H24ClN3O2/c1-10(2)22-15-13(17)6-12(7-18-15)16(21)20-8-11(3)14(9-20)19(4)5/h6-7,10-11,14H,8-9H2,1-5H3
InChIKeyVTFDZKLVQZVKNU-UHFFFAOYSA-N
XLogP2.54
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-6-ethoxy-3-pyridinyl)-[(3S,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone
CID 97096977
(5-chloro-6-ethoxy-3-pyridinyl)-[(3S,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone
CID 97096978
1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 75421699
4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)morpholine-2-carboxylic acid
CID 126794365
(3R,6S)-1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95584937
(7-chloro-1,3-benzodioxol-5-yl)-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 97093361
(7-chloro-1,3-benzodioxol-5-yl)-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 97093358
[1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 55854581
[2-(4-chlorophenyl)morpholin-4-yl]-(5-chloro-6-propan-2-yloxy-3-pyridinyl)methanone
CID 55947772
N-butan-2-yl-2-[4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 55885110
5-chloro-N-(1-cyclopropylethyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 75415942
(2-chloro-3-pyridinyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 79026054

Frequently Asked Questions

What is the IUPAC name of (5-chloro-6-propan-2-yloxy-3-pyridinyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The IUPAC name of (5-chloro-6-propan-2-yloxy-3-pyridinyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone (CID 71927930) is (5-chloro-6-propan-2-yloxy-3-pyridinyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-6-propan-2-yloxy-3-pyridinyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for (5-chloro-6-propan-2-yloxy-3-pyridinyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone is CC(C)Oc1ncc(C(=O)N2CC(C)C(N(C)C)C2)cc1Cl.
What is the InChIKey of (5-chloro-6-propan-2-yloxy-3-pyridinyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The InChIKey is VTFDZKLVQZVKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-10(2)22-15-13(17)6-12(7-18-15)16(21)20-8-11(3)14(9-20)19(4)5/h6-7,10-11,14H,8-9H2,1-5H3.
What are the key properties of (5-chloro-6-propan-2-yloxy-3-pyridinyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
(5-chloro-6-propan-2-yloxy-3-pyridinyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone has a molecular weight of 325.84 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-6-propan-2-yloxy-3-pyridinyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 71927930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).