1-benzyl-2,5-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxamide

C23H26N4O2 — CID 30771595

IUPAC1-benzyl-2,5-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCOCC3)nc2)c(C)n1Cc1ccccc1
InChIInChI=1S/C23H26N4O2/c1-17-14-21(18(2)27(17)16-19-6-4-3-5-7-19)23(28)25-20-8-9-22(24-15-20)26-10-12-29-13-11-26/h3-9,14-15H,10-13,16H2,1-2H3,(H,25,28)
InChIKeyKNNOPXVHKUROQP-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.64
Rot. Bonds5

About 1-benzyl-2,5-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxamide

1-benzyl-2,5-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxamide (PubChem CID 30771595) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-benzyl-2,5-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-2,5-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxamide
PubChem CID30771595
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-benzyl-2,5-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCOCC3)nc2)c(C)n1Cc1ccccc1
InChIInChI=1S/C23H26N4O2/c1-17-14-21(18(2)27(17)16-19-6-4-3-5-7-19)23(28)25-20-8-9-22(24-15-20)26-10-12-29-13-11-26/h3-9,14-15H,10-13,16H2,1-2H3,(H,25,28)
InChIKeyKNNOPXVHKUROQP-UHFFFAOYSA-N
XLogP3.64
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 30770911
2,5-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)thiophene-3-carboxamide
CID 18158652
2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)quinoline-3-carboxamide
CID 86915804
2-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 119946355
2-benzyl-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-dioxoisoindole-5-carboxamide
CID 34443751
1-benzyl-N-[4-(carbamoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55528829
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 32894478
5-bromo-2-chloro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 34442516
2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 17453496
N-(6-morpholin-4-yl-3-pyridinyl)naphthalene-2-carboxamide
CID 3975213
N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyltriazole-4-carboxamide
CID 46684120
2-(4-fluorobenzoyl)-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 46553100

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,5-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxamide?
The IUPAC name of 1-benzyl-2,5-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxamide (CID 30771595) is 1-benzyl-2,5-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-benzyl-2,5-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-benzyl-2,5-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(N3CCOCC3)nc2)c(C)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2,5-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxamide?
The InChIKey is KNNOPXVHKUROQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17-14-21(18(2)27(17)16-19-6-4-3-5-7-19)23(28)25-20-8-9-22(24-15-20)26-10-12-29-13-11-26/h3-9,14-15H,10-13,16H2,1-2H3,(H,25,28).
What are the key properties of 1-benzyl-2,5-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxamide?
1-benzyl-2,5-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,5-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxamide is sourced from PubChem (CID 30771595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).