2,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1-pyridin-2-ylpyrrole-3-carboxamide

C22H32N4O2 — CID 55734741

IUPAC2,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1-pyridin-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC(CC(C)C)N2CCOCC2)c(C)n1-c1ccccn1
InChIInChI=1S/C22H32N4O2/c1-16(2)13-19(25-9-11-28-12-10-25)15-24-22(27)20-14-17(3)26(18(20)4)21-7-5-6-8-23-21/h5-8,14,16,19H,9-13,15H2,1-4H3,(H,24,27)
InChIKeyQGZSOOXZFJYLAU-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.97
Rot. Bonds7

About 2,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1-pyridin-2-ylpyrrole-3-carboxamide

2,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1-pyridin-2-ylpyrrole-3-carboxamide (PubChem CID 55734741) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1-pyridin-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1-pyridin-2-ylpyrrole-3-carboxamide
PubChem CID55734741
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name2,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1-pyridin-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC(CC(C)C)N2CCOCC2)c(C)n1-c1ccccn1
InChIInChI=1S/C22H32N4O2/c1-16(2)13-19(25-9-11-28-12-10-25)15-24-22(27)20-14-17(3)26(18(20)4)21-7-5-6-8-23-21/h5-8,14,16,19H,9-13,15H2,1-4H3,(H,24,27)
InChIKeyQGZSOOXZFJYLAU-UHFFFAOYSA-N
XLogP2.97
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-N-[2-(methylamino)propyl]-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
CID 120831614
N-(3-amino-2-methylpropyl)-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 119996973
N-[(2R)-2-(ethylamino)propyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
CID 120654138
(2R)-2-[(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)amino]-4-methylpentanoic acid
CID 119364267
3-hydroxy-N-(4-methyl-2-morpholin-4-ylpentyl)naphthalene-2-carboxamide
CID 46540851
2-ethoxy-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 134027029
2-methoxy-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 110403268
N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221102
N-(4-methyl-2-morpholin-4-ylpentyl)-2-oxo-1H-quinoline-4-carboxamide
CID 134027047
6-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyridine-3-carboxamide
CID 43050246
N-(4-methyl-2-morpholin-4-ylpentyl)-2-naphthalen-2-ylacetamide
CID 46540850
5-chloro-2-hydroxy-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 43050180

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1-pyridin-2-ylpyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1-pyridin-2-ylpyrrole-3-carboxamide (CID 55734741) is 2,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1-pyridin-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1-pyridin-2-ylpyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1-pyridin-2-ylpyrrole-3-carboxamide is Cc1cc(C(=O)NCC(CC(C)C)N2CCOCC2)c(C)n1-c1ccccn1.
What is the InChIKey of 2,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1-pyridin-2-ylpyrrole-3-carboxamide?
The InChIKey is QGZSOOXZFJYLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-16(2)13-19(25-9-11-28-12-10-25)15-24-22(27)20-14-17(3)26(18(20)4)21-7-5-6-8-23-21/h5-8,14,16,19H,9-13,15H2,1-4H3,(H,24,27).
What are the key properties of 2,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1-pyridin-2-ylpyrrole-3-carboxamide?
2,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1-pyridin-2-ylpyrrole-3-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1-pyridin-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 55734741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).