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

C24H28N6O3 — CID 129316143

IUPACN,5-dimethyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-(oxolan-3-yl)-1H-imidazole-4-carboxamide
SMILESCc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1C(=O)N(C)C1CCOC1
InChIInChI=1S/C24H28N6O3/c1-16-22(24(31)29(2)19-4-8-33-15-19)28-23(27-16)21-12-17(3-5-26-21)18-11-20(14-25-13-18)30-6-9-32-10-7-30/h3,5,11-14,19H,4,6-10,15H2,1-2H3,(H,27,28)
InChIKeyUPXDKFPXEONIFJ-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.54
Rot. Bonds5

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

N,5-dimethyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-(oxolan-3-yl)-1H-imidazole-4-carboxamide (PubChem CID 129316143) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is N,5-dimethyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-(oxolan-3-yl)-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-(oxolan-3-yl)-1H-imidazole-4-carboxamide
PubChem CID129316143
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC NameN,5-dimethyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-(oxolan-3-yl)-1H-imidazole-4-carboxamide
SMILESCc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1C(=O)N(C)C1CCOC1
InChIInChI=1S/C24H28N6O3/c1-16-22(24(31)29(2)19-4-8-33-15-19)28-23(27-16)21-12-17(3-5-26-21)18-11-20(14-25-13-18)30-6-9-32-10-7-30/h3,5,11-14,19H,4,6-10,15H2,1-2H3,(H,27,28)
InChIKeyUPXDKFPXEONIFJ-UHFFFAOYSA-N
XLogP2.54
TPSA96.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(oxolan-3-yl)-1H-imidazole-4-carboxamide?
The IUPAC name of N,5-dimethyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-(oxolan-3-yl)-1H-imidazole-4-carboxamide (CID 129316143) is N,5-dimethyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-(oxolan-3-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-(oxolan-3-yl)-1H-imidazole-4-carboxamide?
The canonical SMILES for N,5-dimethyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-(oxolan-3-yl)-1H-imidazole-4-carboxamide is Cc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1C(=O)N(C)C1CCOC1.
What is the InChIKey of N,5-dimethyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-(oxolan-3-yl)-1H-imidazole-4-carboxamide?
The InChIKey is UPXDKFPXEONIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-16-22(24(31)29(2)19-4-8-33-15-19)28-23(27-16)21-12-17(3-5-26-21)18-11-20(14-25-13-18)30-6-9-32-10-7-30/h3,5,11-14,19H,4,6-10,15H2,1-2H3,(H,27,28).
What are the key properties of N,5-dimethyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-(oxolan-3-yl)-1H-imidazole-4-carboxamide?
N,5-dimethyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-(oxolan-3-yl)-1H-imidazole-4-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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-(oxolan-3-yl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 129316143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).