N-(1-aminopropan-2-yl)-5-methoxy-1-methylindole-2-carboxamide

C14H19N3O2 — CID 110833437

IUPACN-(1-aminopropan-2-yl)-5-methoxy-1-methylindole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)NC(C)CN)n2C
InChIInChI=1S/C14H19N3O2/c1-9(8-15)16-14(18)13-7-10-6-11(19-3)4-5-12(10)17(13)2/h4-7,9H,8,15H2,1-3H3,(H,16,18)
InChIKeyDVEMXOXIVJUUEN-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.26
Rot. Bonds4

About N-(1-aminopropan-2-yl)-5-methoxy-1-methylindole-2-carboxamide

N-(1-aminopropan-2-yl)-5-methoxy-1-methylindole-2-carboxamide (PubChem CID 110833437) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-5-methoxy-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-5-methoxy-1-methylindole-2-carboxamide
PubChem CID110833437
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(1-aminopropan-2-yl)-5-methoxy-1-methylindole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)NC(C)CN)n2C
InChIInChI=1S/C14H19N3O2/c1-9(8-15)16-14(18)13-7-10-6-11(19-3)4-5-12(10)17(13)2/h4-7,9H,8,15H2,1-3H3,(H,16,18)
InChIKeyDVEMXOXIVJUUEN-UHFFFAOYSA-N
XLogP1.26
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-3-methylbutanoate
CID 7070170
5-methoxy-1-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]indole-2-carboxamide
CID 97130600
2-[[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoyl]amino]acetic acid
CID 4837910
N-(1-aminopropan-2-yl)-6-chloro-1-methylindole-2-carboxamide
CID 110833586
5-methoxy-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methylindole-2-carboxamide
CID 97122642
2-[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]propanoylamino]-3-phenylpropanoic acid
CID 4868507
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-1-methylindole-2-carboxamide
CID 42537191
5-methoxy-1-methyl-N-phenylindole-2-carboxamide
CID 10707870
5-methoxy-1-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]indole-2-carboxamide
CID 97112460
5-methoxy-1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]indole-2-carboxamide
CID 56721773
N-(1-aminopropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 63733200
N-butan-2-yl-5-fluoro-1-methylindole-2-carboxamide
CID 110848424

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-5-methoxy-1-methylindole-2-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-5-methoxy-1-methylindole-2-carboxamide (CID 110833437) is N-(1-aminopropan-2-yl)-5-methoxy-1-methylindole-2-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-5-methoxy-1-methylindole-2-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-5-methoxy-1-methylindole-2-carboxamide is COc1ccc2c(c1)cc(C(=O)NC(C)CN)n2C.
What is the InChIKey of N-(1-aminopropan-2-yl)-5-methoxy-1-methylindole-2-carboxamide?
The InChIKey is DVEMXOXIVJUUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(8-15)16-14(18)13-7-10-6-11(19-3)4-5-12(10)17(13)2/h4-7,9H,8,15H2,1-3H3,(H,16,18).
What are the key properties of N-(1-aminopropan-2-yl)-5-methoxy-1-methylindole-2-carboxamide?
N-(1-aminopropan-2-yl)-5-methoxy-1-methylindole-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-5-methoxy-1-methylindole-2-carboxamide is sourced from PubChem (CID 110833437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).