3-[(dimethylamino)methyl]-2-prop-1-en-2-yl-1H-indole-5-carboxamide

C15H19N3O — CID 102067422

IUPAC3-[(dimethylamino)methyl]-2-prop-1-en-2-yl-1H-indole-5-carboxamide
SMILESC=C(C)c1[nH]c2ccc(C(N)=O)cc2c1CN(C)C
InChIInChI=1S/C15H19N3O/c1-9(2)14-12(8-18(3)4)11-7-10(15(16)19)5-6-13(11)17-14/h5-7,17H,1,8H2,2-4H3,(H2,16,19)
InChIKeySJDQRCVXAYAVOC-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.36
Rot. Bonds4

About 3-[(dimethylamino)methyl]-2-prop-1-en-2-yl-1H-indole-5-carboxamide

3-[(dimethylamino)methyl]-2-prop-1-en-2-yl-1H-indole-5-carboxamide (PubChem CID 102067422) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-2-prop-1-en-2-yl-1H-indole-5-carboxamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-2-prop-1-en-2-yl-1H-indole-5-carboxamide
PubChem CID102067422
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-[(dimethylamino)methyl]-2-prop-1-en-2-yl-1H-indole-5-carboxamide
SMILESC=C(C)c1[nH]c2ccc(C(N)=O)cc2c1CN(C)C
InChIInChI=1S/C15H19N3O/c1-9(2)14-12(8-18(3)4)11-7-10(15(16)19)5-6-13(11)17-14/h5-7,17H,1,8H2,2-4H3,(H2,16,19)
InChIKeySJDQRCVXAYAVOC-UHFFFAOYSA-N
XLogP2.36
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-[(dimethylamino)methyl]-5-methyl-1H-indole-2-carboxylate
CID 938498
ethyl 3-[(dimethylamino)methyl]-5-methoxy-1H-indole-2-carboxylate
CID 907671
4-(5-carbamoyl-2-ethoxycarbonyl-1H-indol-3-yl)butanoic acid
CID 58172092
methyl 3-[(dimethylamino)methyl]-2-(2-hydroxypropan-2-yl)-1H-indole-5-carboxylate
CID 25011625
N-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-2,4-dioxo-1H-quinazoline-6-carboxamide
CID 166371018
4-[(dimethylamino)methyl]-3-methylbenzamide
CID 130557552
3-[N-[4-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxamide
CID 135415859
3,5-bis[(dimethylamino)methyl]benzamide
CID 101488535
1,3-bis[2-(dimethylamino)ethyl]-6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxamide
CID 68650941
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367
3,4-dihydropyrazolo[5,4-b]indole-7-carboxamide
CID 166107175
3H-benzo[e]indole-8-carboxamide
CID 141139150

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-2-prop-1-en-2-yl-1H-indole-5-carboxamide?
The IUPAC name of 3-[(dimethylamino)methyl]-2-prop-1-en-2-yl-1H-indole-5-carboxamide (CID 102067422) is 3-[(dimethylamino)methyl]-2-prop-1-en-2-yl-1H-indole-5-carboxamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-2-prop-1-en-2-yl-1H-indole-5-carboxamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-2-prop-1-en-2-yl-1H-indole-5-carboxamide is C=C(C)c1[nH]c2ccc(C(N)=O)cc2c1CN(C)C.
What is the InChIKey of 3-[(dimethylamino)methyl]-2-prop-1-en-2-yl-1H-indole-5-carboxamide?
The InChIKey is SJDQRCVXAYAVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9(2)14-12(8-18(3)4)11-7-10(15(16)19)5-6-13(11)17-14/h5-7,17H,1,8H2,2-4H3,(H2,16,19).
What are the key properties of 3-[(dimethylamino)methyl]-2-prop-1-en-2-yl-1H-indole-5-carboxamide?
3-[(dimethylamino)methyl]-2-prop-1-en-2-yl-1H-indole-5-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-2-prop-1-en-2-yl-1H-indole-5-carboxamide is sourced from PubChem (CID 102067422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).