4-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1-propylpyrrole-2-carboxamide

C15H26N4O2 — CID 114398981

IUPAC4-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCC1CN(CC)CCO1
InChIInChI=1S/C15H26N4O2/c1-3-5-19-10-12(16)8-14(19)15(20)17-9-13-11-18(4-2)6-7-21-13/h8,10,13H,3-7,9,11,16H2,1-2H3,(H,17,20)
InChIKeyXKDQMZLGQBCIGY-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.93
Rot. Bonds6

About 4-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1-propylpyrrole-2-carboxamide

4-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1-propylpyrrole-2-carboxamide (PubChem CID 114398981) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1-propylpyrrole-2-carboxamide
PubChem CID114398981
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name4-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCC1CN(CC)CCO1
InChIInChI=1S/C15H26N4O2/c1-3-5-19-10-12(16)8-14(19)15(20)17-9-13-11-18(4-2)6-7-21-13/h8,10,13H,3-7,9,11,16H2,1-2H3,(H,17,20)
InChIKeyXKDQMZLGQBCIGY-UHFFFAOYSA-N
XLogP0.93
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzamide
CID 114398949
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 114399014
4-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 63243289
4-amino-N-[(4-ethylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 61117906
4-amino-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 61208494
4,5-dibromo-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide
CID 115629840
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methylbenzamide
CID 114398978
4-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 81042446
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methoxybenzamide
CID 114399024
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 114400020
4-amino-5-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 114398905
N-[(4-ethylmorpholin-2-yl)methyl]-3-hydroxy-2-methylbenzamide
CID 115869037

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1-propylpyrrole-2-carboxamide (CID 114398981) is 4-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)NCC1CN(CC)CCO1.
What is the InChIKey of 4-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1-propylpyrrole-2-carboxamide?
The InChIKey is XKDQMZLGQBCIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-5-19-10-12(16)8-14(19)15(20)17-9-13-11-18(4-2)6-7-21-13/h8,10,13H,3-7,9,11,16H2,1-2H3,(H,17,20).
What are the key properties of 4-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1-propylpyrrole-2-carboxamide?
4-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1-propylpyrrole-2-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 114398981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).