N,N,5-trimethyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide

C18H19N5O3S — CID 129315409

IUPACN,N,5-trimethyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide
SMILESCc1[nH]c(-c2cc(-c3cncc(S(C)(=O)=O)c3)ccn2)nc1C(=O)N(C)C
InChIInChI=1S/C18H19N5O3S/c1-11-16(18(24)23(2)3)22-17(21-11)15-8-12(5-6-20-15)13-7-14(10-19-9-13)27(4,25)26/h5-10H,1-4H3,(H,21,22)
InChIKeyYENKSCPLMCWHFP-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.95
Rot. Bonds4

About N,N,5-trimethyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide

N,N,5-trimethyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide (PubChem CID 129315409) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is N,N,5-trimethyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN,N,5-trimethyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide
PubChem CID129315409
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC NameN,N,5-trimethyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide
SMILESCc1[nH]c(-c2cc(-c3cncc(S(C)(=O)=O)c3)ccn2)nc1C(=O)N(C)C
InChIInChI=1S/C18H19N5O3S/c1-11-16(18(24)23(2)3)22-17(21-11)15-8-12(5-6-20-15)13-7-14(10-19-9-13)27(4,25)26/h5-10H,1-4H3,(H,21,22)
InChIKeyYENKSCPLMCWHFP-UHFFFAOYSA-N
XLogP1.95
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide?
The IUPAC name of N,N,5-trimethyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide (CID 129315409) is N,N,5-trimethyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide.
What is the SMILES notation for N,N,5-trimethyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide?
The canonical SMILES for N,N,5-trimethyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide is Cc1[nH]c(-c2cc(-c3cncc(S(C)(=O)=O)c3)ccn2)nc1C(=O)N(C)C.
What is the InChIKey of N,N,5-trimethyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide?
The InChIKey is YENKSCPLMCWHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-11-16(18(24)23(2)3)22-17(21-11)15-8-12(5-6-20-15)13-7-14(10-19-9-13)27(4,25)26/h5-10H,1-4H3,(H,21,22).
What are the key properties of N,N,5-trimethyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide?
N,N,5-trimethyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide is sourced from PubChem (CID 129315409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).