[4-(butan-2-ylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C19H23N3O — CID 109203595

IUPAC[4-(butan-2-ylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCCC(C)Nc1ccnc(C(=O)N2c3ccccc3CC2C)c1
InChIInChI=1S/C19H23N3O/c1-4-13(2)21-16-9-10-20-17(12-16)19(23)22-14(3)11-15-7-5-6-8-18(15)22/h5-10,12-14H,4,11H2,1-3H3,(H,20,21)
InChIKeyLJVMBQPAAKJPCN-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.88
Rot. Bonds4

About [4-(butan-2-ylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

[4-(butan-2-ylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 109203595) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is [4-(butan-2-ylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[4-(butan-2-ylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID109203595
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name[4-(butan-2-ylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCCC(C)Nc1ccnc(C(=O)N2c3ccccc3CC2C)c1
InChIInChI=1S/C19H23N3O/c1-4-13(2)21-16-9-10-20-17(12-16)19(23)22-14(3)11-15-7-5-6-8-18(15)22/h5-10,12-14H,4,11H2,1-3H3,(H,20,21)
InChIKeyLJVMBQPAAKJPCN-UHFFFAOYSA-N
XLogP3.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-2,3-dihydroindol-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone
CID 109210859
[4-(3-methylbutylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109217477
[5-(butan-2-ylamino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109273480
[6-(butan-2-ylamino)pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109111518
[4-(cycloheptylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109217194
[4-(2,4-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109222586
(2-methyl-2,3-dihydroindol-1-yl)-[4-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone
CID 109222608
(2-methyl-2,3-dihydroindol-1-yl)-[2-(2-methylpropylamino)pyrimidin-4-yl]methanone
CID 109296868
2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109086077
[4-(2,4-dimethoxyanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109222011
N-ethyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylpyridine-4-carboxamide
CID 109092353
2,3-dihydroindol-1-yl-[4-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109201577

Frequently Asked Questions

What is the IUPAC name of [4-(butan-2-ylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [4-(butan-2-ylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 109203595) is [4-(butan-2-ylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [4-(butan-2-ylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [4-(butan-2-ylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is CCC(C)Nc1ccnc(C(=O)N2c3ccccc3CC2C)c1.
What is the InChIKey of [4-(butan-2-ylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is LJVMBQPAAKJPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-4-13(2)21-16-9-10-20-17(12-16)19(23)22-14(3)11-15-7-5-6-8-18(15)22/h5-10,12-14H,4,11H2,1-3H3,(H,20,21).
What are the key properties of [4-(butan-2-ylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[4-(butan-2-ylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 309.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(butan-2-ylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109203595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).