4-[(dimethylamino)methyl]-3-(1H-indol-4-ylmethylamino)benzamide

C19H22N4O — CID 167902428

IUPAC4-[(dimethylamino)methyl]-3-(1H-indol-4-ylmethylamino)benzamide
SMILESCN(C)Cc1ccc(C(N)=O)cc1NCc1cccc2[nH]ccc12
InChIInChI=1S/C19H22N4O/c1-23(2)12-15-7-6-13(19(20)24)10-18(15)22-11-14-4-3-5-17-16(14)8-9-21-17/h3-10,21-22H,11-12H2,1-2H3,(H2,20,24)
InChIKeyUSMRMAVAWTXDAO-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.94
Rot. Bonds6

About 4-[(dimethylamino)methyl]-3-(1H-indol-4-ylmethylamino)benzamide

4-[(dimethylamino)methyl]-3-(1H-indol-4-ylmethylamino)benzamide (PubChem CID 167902428) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-3-(1H-indol-4-ylmethylamino)benzamide.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-3-(1H-indol-4-ylmethylamino)benzamide
PubChem CID167902428
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name4-[(dimethylamino)methyl]-3-(1H-indol-4-ylmethylamino)benzamide
SMILESCN(C)Cc1ccc(C(N)=O)cc1NCc1cccc2[nH]ccc12
InChIInChI=1S/C19H22N4O/c1-23(2)12-15-7-6-13(19(20)24)10-18(15)22-11-14-4-3-5-17-16(14)8-9-21-17/h3-10,21-22H,11-12H2,1-2H3,(H2,20,24)
InChIKeyUSMRMAVAWTXDAO-UHFFFAOYSA-N
XLogP2.94
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,4-difluorophenyl)methylamino]-4-[(dimethylamino)methyl]benzamide
CID 71967989
3-ethoxy-4-(1H-indol-4-ylmethylamino)-N,N-dimethylbenzamide
CID 86814852
3-(1H-indol-3-ylmethylamino)benzamide
CID 60680190
N-ethyl-2-(1H-indol-4-ylmethylamino)-N-methylacetamide
CID 104923370
N-(1H-indol-4-ylmethyl)propanamide
CID 176935116
N,N-diethyl-4-[(1H-indol-4-ylmethylamino)methyl]benzamide
CID 119109918
1-[3-(dimethylamino)propyl]-3-(1H-indol-4-ylmethyl)-1-methylurea
CID 121496080
4-[(dimethylamino)methyl]-3-methylbenzamide
CID 130557552
6-chloro-4-(1H-indol-4-ylmethylamino)-N-methylpyridine-3-carboxamide
CID 143999736
N-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-2,4-dioxo-1H-quinazoline-6-carboxamide
CID 166371018
1-(1H-indol-4-ylmethyl)-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676411
3H-benzo[e]indole-8-carboxamide
CID 141139150

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-3-(1H-indol-4-ylmethylamino)benzamide?
The IUPAC name of 4-[(dimethylamino)methyl]-3-(1H-indol-4-ylmethylamino)benzamide (CID 167902428) is 4-[(dimethylamino)methyl]-3-(1H-indol-4-ylmethylamino)benzamide.
What is the SMILES notation for 4-[(dimethylamino)methyl]-3-(1H-indol-4-ylmethylamino)benzamide?
The canonical SMILES for 4-[(dimethylamino)methyl]-3-(1H-indol-4-ylmethylamino)benzamide is CN(C)Cc1ccc(C(N)=O)cc1NCc1cccc2[nH]ccc12.
What is the InChIKey of 4-[(dimethylamino)methyl]-3-(1H-indol-4-ylmethylamino)benzamide?
The InChIKey is USMRMAVAWTXDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-23(2)12-15-7-6-13(19(20)24)10-18(15)22-11-14-4-3-5-17-16(14)8-9-21-17/h3-10,21-22H,11-12H2,1-2H3,(H2,20,24).
What are the key properties of 4-[(dimethylamino)methyl]-3-(1H-indol-4-ylmethylamino)benzamide?
4-[(dimethylamino)methyl]-3-(1H-indol-4-ylmethylamino)benzamide has a molecular weight of 322.41 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-3-(1H-indol-4-ylmethylamino)benzamide is sourced from PubChem (CID 167902428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).