2-N-propyl-2-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2,4-dicarboxamide

C19H23N3O2 — CID 97027743

IUPAC2-N-propyl-2-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2,4-dicarboxamide
SMILESCCCN(C(=O)c1cc(C(N)=O)c[nH]1)[C@H]1CCc2ccccc2C1
InChIInChI=1S/C19H23N3O2/c1-2-9-22(19(24)17-11-15(12-21-17)18(20)23)16-8-7-13-5-3-4-6-14(13)10-16/h3-6,11-12,16,21H,2,7-10H2,1H3,(H2,20,23)/t16-/m0/s1
InChIKeySWBNXVBFEIQEOG-INIZCTEOSA-N
MW325.41 g/mol
LogP2.52
Rot. Bonds5

About 2-N-propyl-2-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2,4-dicarboxamide

2-N-propyl-2-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2,4-dicarboxamide (PubChem CID 97027743) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-N-propyl-2-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-propyl-2-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2,4-dicarboxamide
PubChem CID97027743
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-N-propyl-2-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2,4-dicarboxamide
SMILESCCCN(C(=O)c1cc(C(N)=O)c[nH]1)[C@H]1CCc2ccccc2C1
InChIInChI=1S/C19H23N3O2/c1-2-9-22(19(24)17-11-15(12-21-17)18(20)23)16-8-7-13-5-3-4-6-14(13)10-16/h3-6,11-12,16,21H,2,7-10H2,1H3,(H2,20,23)/t16-/m0/s1
InChIKeySWBNXVBFEIQEOG-INIZCTEOSA-N
XLogP2.52
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-propyl-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrrole-2,4-dicarboxamide
CID 71862222
3,5-dinitro-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 60575030
4-(aminomethyl)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide;hydrochloride
CID 119303185
2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-4-carboxylic acid
CID 122055938
(2S)-2-amino-N-propyl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 124591510
N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119303183
N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(tetrazol-1-yl)benzamide
CID 60575562
5-[[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]thiophene-3-carboxamide
CID 97157550
2-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]acetamide
CID 94199166
3-oxo-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 138993055
3-methyl-4-oxo-N-propyl-2-sulfanylidene-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-quinazoline-7-carboxamide
CID 60575471
(7R)-7-[benzyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 15703621

Frequently Asked Questions

What is the IUPAC name of 2-N-propyl-2-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2,4-dicarboxamide?
The IUPAC name of 2-N-propyl-2-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2,4-dicarboxamide (CID 97027743) is 2-N-propyl-2-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2,4-dicarboxamide.
What is the SMILES notation for 2-N-propyl-2-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2,4-dicarboxamide?
The canonical SMILES for 2-N-propyl-2-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2,4-dicarboxamide is CCCN(C(=O)c1cc(C(N)=O)c[nH]1)[C@H]1CCc2ccccc2C1.
What is the InChIKey of 2-N-propyl-2-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2,4-dicarboxamide?
The InChIKey is SWBNXVBFEIQEOG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-9-22(19(24)17-11-15(12-21-17)18(20)23)16-8-7-13-5-3-4-6-14(13)10-16/h3-6,11-12,16,21H,2,7-10H2,1H3,(H2,20,23)/t16-/m0/s1.
What are the key properties of 2-N-propyl-2-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2,4-dicarboxamide?
2-N-propyl-2-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2,4-dicarboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-propyl-2-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2,4-dicarboxamide is sourced from PubChem (CID 97027743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).