methyl 5-[[6-(diethylamino)-3-pyridinyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate

C20H28N4O3 — CID 55845047

IUPACmethyl 5-[[6-(diethylamino)-3-pyridinyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
SMILESCCCc1c(C(=O)Nc2ccc(N(CC)CC)nc2)[nH]c(C)c1C(=O)OC
InChIInChI=1S/C20H28N4O3/c1-6-9-15-17(20(26)27-5)13(4)22-18(15)19(25)23-14-10-11-16(21-12-14)24(7-2)8-3/h10-12,22H,6-9H2,1-5H3,(H,23,25)
InChIKeyNBFAYFMCFRZVRA-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.56
Rot. Bonds8

About methyl 5-[[6-(diethylamino)-3-pyridinyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate

methyl 5-[[6-(diethylamino)-3-pyridinyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate (PubChem CID 55845047) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is methyl 5-[[6-(diethylamino)-3-pyridinyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[6-(diethylamino)-3-pyridinyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
PubChem CID55845047
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Namemethyl 5-[[6-(diethylamino)-3-pyridinyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
SMILESCCCc1c(C(=O)Nc2ccc(N(CC)CC)nc2)[nH]c(C)c1C(=O)OC
InChIInChI=1S/C20H28N4O3/c1-6-9-15-17(20(26)27-5)13(4)22-18(15)19(25)23-14-10-11-16(21-12-14)24(7-2)8-3/h10-12,22H,6-9H2,1-5H3,(H,23,25)
InChIKeyNBFAYFMCFRZVRA-UHFFFAOYSA-N
XLogP3.56
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[6-(diethylamino)-3-pyridinyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-methyl-5-[(4-piperidin-1-ylphenyl)carbamoyl]-4-propyl-1H-pyrrole-3-carboxylate
CID 55834868
methyl 5-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
CID 49087127
methyl 4-[[6-(diethylamino)pyridine-3-carbonyl]amino]benzoate
CID 48650816
N-[6-(diethylamino)-3-pyridinyl]-1H-pyrazole-4-carboxamide
CID 60971845
methyl 2,4-dimethyl-5-[[6-(2-methylpropoxy)-3-pyridinyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 86964029
methyl 5-[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
CID 87016909
2-(cyclopropylmethylamino)-N-[6-(diethylamino)-3-pyridinyl]acetamide;dihydrochloride
CID 119845923
N-[6-(diethylamino)-3-pyridinyl]-2-(methanesulfonamido)benzamide
CID 55844663
N-[5-[[6-(diethylamino)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide
CID 155010090
N-[6-(diethylamino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113014581
4-chloro-N-[6-(diethylamino)-3-pyridinyl]pyridine-2-carboxamide
CID 60785572
methyl 5-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
CID 55834584

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[6-(diethylamino)-3-pyridinyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-[[6-(diethylamino)-3-pyridinyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate (CID 55845047) is methyl 5-[[6-(diethylamino)-3-pyridinyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-[[6-(diethylamino)-3-pyridinyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-[[6-(diethylamino)-3-pyridinyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate is CCCc1c(C(=O)Nc2ccc(N(CC)CC)nc2)[nH]c(C)c1C(=O)OC.
What is the InChIKey of methyl 5-[[6-(diethylamino)-3-pyridinyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate?
The InChIKey is NBFAYFMCFRZVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-6-9-15-17(20(26)27-5)13(4)22-18(15)19(25)23-14-10-11-16(21-12-14)24(7-2)8-3/h10-12,22H,6-9H2,1-5H3,(H,23,25).
What are the key properties of methyl 5-[[6-(diethylamino)-3-pyridinyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate?
methyl 5-[[6-(diethylamino)-3-pyridinyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate has a molecular weight of 372.47 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[6-(diethylamino)-3-pyridinyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 55845047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).