(2S)-2-[(1-tert-butyl-4-cyanopyrrol-2-yl)carbamoylamino]-N-ethylpropanamide

C15H23N5O2 — CID 95153082

IUPAC(2S)-2-[(1-tert-butyl-4-cyanopyrrol-2-yl)carbamoylamino]-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)NC(=O)Nc1cc(C#N)cn1C(C)(C)C
InChIInChI=1S/C15H23N5O2/c1-6-17-13(21)10(2)18-14(22)19-12-7-11(8-16)9-20(12)15(3,4)5/h7,9-10H,6H2,1-5H3,(H,17,21)(H2,18,19,22)/t10-/m0/s1
InChIKeyWXTRKOCGTPTZHR-JTQLQIEISA-N
MW305.38 g/mol
LogP1.76
Rot. Bonds4

About (2S)-2-[(1-tert-butyl-4-cyanopyrrol-2-yl)carbamoylamino]-N-ethylpropanamide

(2S)-2-[(1-tert-butyl-4-cyanopyrrol-2-yl)carbamoylamino]-N-ethylpropanamide (PubChem CID 95153082) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2S)-2-[(1-tert-butyl-4-cyanopyrrol-2-yl)carbamoylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(1-tert-butyl-4-cyanopyrrol-2-yl)carbamoylamino]-N-ethylpropanamide
PubChem CID95153082
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name(2S)-2-[(1-tert-butyl-4-cyanopyrrol-2-yl)carbamoylamino]-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)NC(=O)Nc1cc(C#N)cn1C(C)(C)C
InChIInChI=1S/C15H23N5O2/c1-6-17-13(21)10(2)18-14(22)19-12-7-11(8-16)9-20(12)15(3,4)5/h7,9-10H,6H2,1-5H3,(H,17,21)(H2,18,19,22)/t10-/m0/s1
InChIKeyWXTRKOCGTPTZHR-JTQLQIEISA-N
XLogP1.76
TPSA98.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-tert-butyl-4-cyanopyrrol-2-yl)-3-[(3-methylphenyl)methyl]urea
CID 86812891
N-(1-tert-butyl-4-cyanopyrrol-2-yl)-2-methoxyacetamide
CID 75415950
(2S)-N-(1-tert-butyl-4-cyanopyrrol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95761005
N-(1-tert-butyl-4-cyanopyrrol-2-yl)-2,3-dimethylbenzamide
CID 154739958
N-[3-[(1-tert-butyl-4-cyanopyrrol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 71891037
(2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-ethylpropanamide
CID 92541927
N-tert-butyl-2-[(3-cyanophenyl)carbamoylamino]propanamide
CID 47075829
2-(1,3-benzodioxol-5-ylcarbamoylamino)-N-ethylpropanamide
CID 47136019
2-(3-bromo-5-cyanoanilino)-N-ethylpropanamide
CID 102815690
2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-hydroxybenzoic acid
CID 61478806
(2S)-N-(1-tert-butyl-4-cyanopyrrol-2-yl)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 95968153
5-chloro-2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid
CID 61478844

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-tert-butyl-4-cyanopyrrol-2-yl)carbamoylamino]-N-ethylpropanamide?
The IUPAC name of (2S)-2-[(1-tert-butyl-4-cyanopyrrol-2-yl)carbamoylamino]-N-ethylpropanamide (CID 95153082) is (2S)-2-[(1-tert-butyl-4-cyanopyrrol-2-yl)carbamoylamino]-N-ethylpropanamide.
What is the SMILES notation for (2S)-2-[(1-tert-butyl-4-cyanopyrrol-2-yl)carbamoylamino]-N-ethylpropanamide?
The canonical SMILES for (2S)-2-[(1-tert-butyl-4-cyanopyrrol-2-yl)carbamoylamino]-N-ethylpropanamide is CCNC(=O)[C@H](C)NC(=O)Nc1cc(C#N)cn1C(C)(C)C.
What is the InChIKey of (2S)-2-[(1-tert-butyl-4-cyanopyrrol-2-yl)carbamoylamino]-N-ethylpropanamide?
The InChIKey is WXTRKOCGTPTZHR-JTQLQIEISA-N. The full InChI is InChI=1S/C15H23N5O2/c1-6-17-13(21)10(2)18-14(22)19-12-7-11(8-16)9-20(12)15(3,4)5/h7,9-10H,6H2,1-5H3,(H,17,21)(H2,18,19,22)/t10-/m0/s1.
What are the key properties of (2S)-2-[(1-tert-butyl-4-cyanopyrrol-2-yl)carbamoylamino]-N-ethylpropanamide?
(2S)-2-[(1-tert-butyl-4-cyanopyrrol-2-yl)carbamoylamino]-N-ethylpropanamide has a molecular weight of 305.38 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-tert-butyl-4-cyanopyrrol-2-yl)carbamoylamino]-N-ethylpropanamide is sourced from PubChem (CID 95153082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).