1-methyl-4-[[2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]amino]pyrrole-2-carboxamide

C18H21N3O2 — CID 95617018

IUPAC1-methyl-4-[[2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]amino]pyrrole-2-carboxamide
SMILESCn1cc(NC(=O)C[C@H]2CCCc3ccccc32)cc1C(N)=O
InChIInChI=1S/C18H21N3O2/c1-21-11-14(10-16(21)18(19)23)20-17(22)9-13-7-4-6-12-5-2-3-8-15(12)13/h2-3,5,8,10-11,13H,4,6-7,9H2,1H3,(H2,19,23)(H,20,22)/t13-/m1/s1
InChIKeyPSQVEHOEFSCPNP-CYBMUJFWSA-N
MW311.39 g/mol
LogP2.57
Rot. Bonds4

About 1-methyl-4-[[2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]amino]pyrrole-2-carboxamide

1-methyl-4-[[2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]amino]pyrrole-2-carboxamide (PubChem CID 95617018) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-methyl-4-[[2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]amino]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[[2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]amino]pyrrole-2-carboxamide
PubChem CID95617018
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name1-methyl-4-[[2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]amino]pyrrole-2-carboxamide
SMILESCn1cc(NC(=O)C[C@H]2CCCc3ccccc32)cc1C(N)=O
InChIInChI=1S/C18H21N3O2/c1-21-11-14(10-16(21)18(19)23)20-17(22)9-13-7-4-6-12-5-2-3-8-15(12)13/h2-3,5,8,10-11,13H,4,6-7,9H2,1H3,(H2,19,23)(H,20,22)/t13-/m1/s1
InChIKeyPSQVEHOEFSCPNP-CYBMUJFWSA-N
XLogP2.57
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dihydro-1H-isothiochromene-1-carbonylamino)-1-methylpyrrole-2-carboxamide
CID 75374650
4-[[(1S)-3,4-dihydro-1H-isothiochromene-1-carbonyl]amino]-1-methylpyrrole-2-carboxamide
CID 97218624
2-methyl-3-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]benzamide
CID 56783711
N-(6-amino-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119515915
3-methylsulfonyl-5-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]benzoic acid
CID 119257803
N-[2-(ethylaminomethyl)phenyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 119440025
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 95616896
N-(6-amino-1,3-benzodioxol-5-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119618623
1-methyl-4-[[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]sulfamoyl]pyrrole-2-carboxamide
CID 94809720
2-(2,3-dihydro-1H-inden-1-yl)-N-(3-fluorophenyl)acetamide
CID 86955213
1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 63772473
N-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetamide
CID 63773485

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]amino]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-[[2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]amino]pyrrole-2-carboxamide (CID 95617018) is 1-methyl-4-[[2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]amino]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-[[2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]amino]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-[[2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]amino]pyrrole-2-carboxamide is Cn1cc(NC(=O)C[C@H]2CCCc3ccccc32)cc1C(N)=O.
What is the InChIKey of 1-methyl-4-[[2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]amino]pyrrole-2-carboxamide?
The InChIKey is PSQVEHOEFSCPNP-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-21-11-14(10-16(21)18(19)23)20-17(22)9-13-7-4-6-12-5-2-3-8-15(12)13/h2-3,5,8,10-11,13H,4,6-7,9H2,1H3,(H2,19,23)(H,20,22)/t13-/m1/s1.
What are the key properties of 1-methyl-4-[[2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]amino]pyrrole-2-carboxamide?
1-methyl-4-[[2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]amino]pyrrole-2-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]amino]pyrrole-2-carboxamide is sourced from PubChem (CID 95617018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).