N-(5-acetyl-1-methylpyrrol-3-yl)-1-methyl-4-(phosphanylamino)pyrrole-2-carboxamide

C13H17N4O2P — CID 23394637

IUPACN-(5-acetyl-1-methylpyrrol-3-yl)-1-methyl-4-(phosphanylamino)pyrrole-2-carboxamide
SMILESCC(=O)c1cc(NC(=O)c2cc(NP)cn2C)cn1C
InChIInChI=1S/C13H17N4O2P/c1-8(18)11-4-9(6-16(11)2)14-13(19)12-5-10(15-20)7-17(12)3/h4-7,15H,20H2,1-3H3,(H,14,19)
InChIKeyJFLXOTUVXBSYGU-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.02
Rot. Bonds4

About N-(5-acetyl-1-methylpyrrol-3-yl)-1-methyl-4-(phosphanylamino)pyrrole-2-carboxamide

N-(5-acetyl-1-methylpyrrol-3-yl)-1-methyl-4-(phosphanylamino)pyrrole-2-carboxamide (PubChem CID 23394637) has the molecular formula C13H17N4O2P and a molecular weight of 292.28 g/mol. Its IUPAC name is N-(5-acetyl-1-methylpyrrol-3-yl)-1-methyl-4-(phosphanylamino)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-1-methylpyrrol-3-yl)-1-methyl-4-(phosphanylamino)pyrrole-2-carboxamide
PubChem CID23394637
Molecular FormulaC13H17N4O2P
Molecular Weight292.28 g/mol
Exact Mass292.11
IUPAC NameN-(5-acetyl-1-methylpyrrol-3-yl)-1-methyl-4-(phosphanylamino)pyrrole-2-carboxamide
SMILESCC(=O)c1cc(NC(=O)c2cc(NP)cn2C)cn1C
InChIInChI=1S/C13H17N4O2P/c1-8(18)11-4-9(6-16(11)2)14-13(19)12-5-10(15-20)7-17(12)3/h4-7,15H,20H2,1-3H3,(H,14,19)
InChIKeyJFLXOTUVXBSYGU-UHFFFAOYSA-N
XLogP2.02
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-acetamido-1-methyl-N-[1-methyl-5-[[1-methyl-5-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyrrole-2-carboxamide
CID 162488190
4-[[4-(carboxyamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid
CID 71195870
1-[4-(methoxyamino)-1-methylpyrrol-2-yl]ethanone
CID 142228577
4-acetamido-1-methyl-N-propan-2-ylpyrrole-2-carboxamide
CID 134450659
methyl 4-[[4-[[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate
CID 147658735
N-[5-(2-aminoethylcarbamoyl)-1-methylpyrrol-3-yl]-1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide
CID 101100175
4-amino-N-[5-(2-aminoethylcarbamoyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
CID 69176970
3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]benzoic acid
CID 43350862
[1-methyl-5-[[4-[1-methyl-5-(phenylcarbamoyl)pyrrol-3-yl]phenyl]carbamoyl]pyrrol-3-yl]carbamic acid
CID 135351177
methyl 1-methyl-4-[[1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylate;1-methyl-4-[[1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylic acid;hydrate
CID 157094570
1-methyl-4-[[1-methyl-4-(pyridine-2-carbonylamino)pyrrole-2-carbonyl]amino]pyrrole-2-carboxylic acid
CID 139332490
methyl 1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylate
CID 59440204

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-1-methylpyrrol-3-yl)-1-methyl-4-(phosphanylamino)pyrrole-2-carboxamide?
The IUPAC name of N-(5-acetyl-1-methylpyrrol-3-yl)-1-methyl-4-(phosphanylamino)pyrrole-2-carboxamide (CID 23394637) is N-(5-acetyl-1-methylpyrrol-3-yl)-1-methyl-4-(phosphanylamino)pyrrole-2-carboxamide.
What is the SMILES notation for N-(5-acetyl-1-methylpyrrol-3-yl)-1-methyl-4-(phosphanylamino)pyrrole-2-carboxamide?
The canonical SMILES for N-(5-acetyl-1-methylpyrrol-3-yl)-1-methyl-4-(phosphanylamino)pyrrole-2-carboxamide is CC(=O)c1cc(NC(=O)c2cc(NP)cn2C)cn1C.
What is the InChIKey of N-(5-acetyl-1-methylpyrrol-3-yl)-1-methyl-4-(phosphanylamino)pyrrole-2-carboxamide?
The InChIKey is JFLXOTUVXBSYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N4O2P/c1-8(18)11-4-9(6-16(11)2)14-13(19)12-5-10(15-20)7-17(12)3/h4-7,15H,20H2,1-3H3,(H,14,19).
What are the key properties of N-(5-acetyl-1-methylpyrrol-3-yl)-1-methyl-4-(phosphanylamino)pyrrole-2-carboxamide?
N-(5-acetyl-1-methylpyrrol-3-yl)-1-methyl-4-(phosphanylamino)pyrrole-2-carboxamide has a molecular weight of 292.28 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-1-methylpyrrol-3-yl)-1-methyl-4-(phosphanylamino)pyrrole-2-carboxamide is sourced from PubChem (CID 23394637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).