N,5-dimethyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide

C23H28N6O2 — CID 129315839

IUPACN,5-dimethyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide
SMILESCc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1C(=O)N(C)C(C)C
InChIInChI=1S/C23H28N6O2/c1-15(2)28(4)23(30)21-16(3)26-22(27-21)20-12-17(5-6-25-20)18-11-19(14-24-13-18)29-7-9-31-10-8-29/h5-6,11-15H,7-10H2,1-4H3,(H,26,27)
InChIKeyLLKHZDOCDFNBTG-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.16
Rot. Bonds5

About N,5-dimethyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide

N,5-dimethyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide (PubChem CID 129315839) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N,5-dimethyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide
PubChem CID129315839
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC NameN,5-dimethyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide
SMILESCc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1C(=O)N(C)C(C)C
InChIInChI=1S/C23H28N6O2/c1-15(2)28(4)23(30)21-16(3)26-22(27-21)20-12-17(5-6-25-20)18-11-19(14-24-13-18)29-7-9-31-10-8-29/h5-6,11-15H,7-10H2,1-4H3,(H,26,27)
InChIKeyLLKHZDOCDFNBTG-UHFFFAOYSA-N
XLogP3.16
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide?
The IUPAC name of N,5-dimethyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide (CID 129315839) is N,5-dimethyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N,5-dimethyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide?
The canonical SMILES for N,5-dimethyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide is Cc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1C(=O)N(C)C(C)C.
What is the InChIKey of N,5-dimethyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide?
The InChIKey is LLKHZDOCDFNBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-15(2)28(4)23(30)21-16(3)26-22(27-21)20-12-17(5-6-25-20)18-11-19(14-24-13-18)29-7-9-31-10-8-29/h5-6,11-15H,7-10H2,1-4H3,(H,26,27).
What are the key properties of N,5-dimethyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide?
N,5-dimethyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 129315839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).