4-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide

C16H19N3O — CID 61107600

IUPAC4-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide
SMILESCN(C(=O)c1cc(N)c[nH]1)C1CCCc2ccccc21
InChIInChI=1S/C16H19N3O/c1-19(16(20)14-9-12(17)10-18-14)15-8-4-6-11-5-2-3-7-13(11)15/h2-3,5,7,9-10,15,18H,4,6,8,17H2,1H3
InChIKeyKOCKVQKFTWIQFU-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.75
Rot. Bonds2

About 4-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide

4-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide (PubChem CID 61107600) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide
PubChem CID61107600
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide
SMILESCN(C(=O)c1cc(N)c[nH]1)C1CCCc2ccccc21
InChIInChI=1S/C16H19N3O/c1-19(16(20)14-9-12(17)10-18-14)15-8-4-6-11-5-2-3-7-13(11)15/h2-3,5,7,9-10,15,18H,4,6,8,17H2,1H3
InChIKeyKOCKVQKFTWIQFU-UHFFFAOYSA-N
XLogP2.75
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 134791703
N,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42884040
(2S)-2-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 54980190
N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 42916496
4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 43575493
N-methyl-2-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-quinoline-6-carboxamide
CID 51724937
N,6-dimethyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide
CID 86768777
N-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42916495
5-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide
CID 107371805
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-1-oxo-2H-isoquinoline-4-carboxamide
CID 99790409
2-bromo-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 103754184
3-(6-methoxypyridazin-3-yl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 125165313

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide (CID 61107600) is 4-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide is CN(C(=O)c1cc(N)c[nH]1)C1CCCc2ccccc21.
What is the InChIKey of 4-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is KOCKVQKFTWIQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19(16(20)14-9-12(17)10-18-14)15-8-4-6-11-5-2-3-7-13(11)15/h2-3,5,7,9-10,15,18H,4,6,8,17H2,1H3.
What are the key properties of 4-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide?
4-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 61107600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).