4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-propylpyrrole-2-carboxamide

C15H28N4O — CID 61476569

IUPAC4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NC(CN(C)C)C(C)C
InChIInChI=1S/C15H28N4O/c1-6-7-19-9-12(16)8-14(19)15(20)17-13(11(2)3)10-18(4)5/h8-9,11,13H,6-7,10,16H2,1-5H3,(H,17,20)
InChIKeyBANHUBAQNPCYRN-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.80
Rot. Bonds7

About 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-propylpyrrole-2-carboxamide

4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-propylpyrrole-2-carboxamide (PubChem CID 61476569) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-propylpyrrole-2-carboxamide
PubChem CID61476569
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NC(CN(C)C)C(C)C
InChIInChI=1S/C15H28N4O/c1-6-7-19-9-12(16)8-14(19)15(20)17-13(11(2)3)10-18(4)5/h8-9,11,13H,6-7,10,16H2,1-5H3,(H,17,20)
InChIKeyBANHUBAQNPCYRN-UHFFFAOYSA-N
XLogP1.80
TPSA63.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(1-methoxy-3-methylbutan-2-yl)-1-propylpyrrole-2-carboxamide
CID 65049794
4-amino-N-[2-(dimethylamino)propyl]-1-propylpyrrole-2-carboxamide
CID 61139515
4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-propylpyrrole-2-carboxamide
CID 106152436
4-amino-N-[1-(4-methylphenyl)ethyl]-1-propylpyrrole-2-carboxamide
CID 61103337
4-amino-N-(1-cyclohexylethyl)-1-propylpyrrole-2-carboxamide
CID 62403049
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propylpyrrole-2-carboxamide
CID 106180191
4-amino-N-[1-(dimethylamino)propan-2-yl]-1-methylpyrrole-2-carboxamide
CID 82945823
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-propylpyrrole-2-carboxamide
CID 106139513
4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide
CID 83107929
4-amino-N-(5-hydroxy-4-methylpentyl)-1-propylpyrrole-2-carboxamide
CID 106152159
4-amino-1-ethyl-N-[(2S)-1-hydroxypropan-2-yl]pyrrole-2-carboxamide
CID 93254381
4-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-propylpyrrole-2-carboxamide
CID 106179940

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-propylpyrrole-2-carboxamide (CID 61476569) is 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)NC(CN(C)C)C(C)C.
What is the InChIKey of 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-propylpyrrole-2-carboxamide?
The InChIKey is BANHUBAQNPCYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-6-7-19-9-12(16)8-14(19)15(20)17-13(11(2)3)10-18(4)5/h8-9,11,13H,6-7,10,16H2,1-5H3,(H,17,20).
What are the key properties of 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-propylpyrrole-2-carboxamide?
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-propylpyrrole-2-carboxamide has a molecular weight of 280.42 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 61476569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).