N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methylpyridine-2-carboxamide

C21H23N5O3 — CID 71461137

IUPACN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methylpyridine-2-carboxamide
SMILESCc1ccnc(C(=O)Nc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)c1
InChIInChI=1S/C21H23N5O3/c1-13-9-10-22-16(11-13)19(27)23-14-5-7-15(8-6-14)24-20(28)25-18-12-17(29-26-18)21(2,3)4/h5-12H,1-4H3,(H,23,27)(H2,24,25,26,28)
InChIKeyPEJCGJUJBCLDFV-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.57
Rot. Bonds4

About N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methylpyridine-2-carboxamide

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methylpyridine-2-carboxamide (PubChem CID 71461137) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methylpyridine-2-carboxamide
PubChem CID71461137
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methylpyridine-2-carboxamide
SMILESCc1ccnc(C(=O)Nc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)c1
InChIInChI=1S/C21H23N5O3/c1-13-9-10-22-16(11-13)19(27)23-14-5-7-15(8-6-14)24-20(28)25-18-12-17(29-26-18)21(2,3)4/h5-12H,1-4H3,(H,23,27)(H2,24,25,26,28)
InChIKeyPEJCGJUJBCLDFV-UHFFFAOYSA-N
XLogP4.57
TPSA109.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methylpyridine-2-carboxamide?
The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methylpyridine-2-carboxamide (CID 71461137) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methylpyridine-2-carboxamide?
The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methylpyridine-2-carboxamide is Cc1ccnc(C(=O)Nc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)c1.
What is the InChIKey of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methylpyridine-2-carboxamide?
The InChIKey is PEJCGJUJBCLDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-13-9-10-22-16(11-13)19(27)23-14-5-7-15(8-6-14)24-20(28)25-18-12-17(29-26-18)21(2,3)4/h5-12H,1-4H3,(H,23,27)(H2,24,25,26,28).
What are the key properties of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methylpyridine-2-carboxamide?
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methylpyridine-2-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 4.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methylpyridine-2-carboxamide is sourced from PubChem (CID 71461137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).