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

C20H21N5O3 — CID 46883364

IUPACN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cccnc3)cc2)no1
InChIInChI=1S/C20H21N5O3/c1-20(2,3)16-11-17(25-28-16)24-19(27)23-15-8-6-14(7-9-15)22-18(26)13-5-4-10-21-12-13/h4-12H,1-3H3,(H,22,26)(H2,23,24,25,27)
InChIKeyNBTTVMZXQVDWQE-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.26
Rot. Bonds4

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

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-3-carboxamide (PubChem CID 46883364) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-3-carboxamide
PubChem CID46883364
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cccnc3)cc2)no1
InChIInChI=1S/C20H21N5O3/c1-20(2,3)16-11-17(25-28-16)24-19(27)23-15-8-6-14(7-9-15)22-18(26)13-5-4-10-21-12-13/h4-12H,1-3H3,(H,22,26)(H2,23,24,25,27)
InChIKeyNBTTVMZXQVDWQE-UHFFFAOYSA-N
XLogP4.26
TPSA109.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.26
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]pyridine-3-carboxamide?
The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-3-carboxamide (CID 46883364) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-3-carboxamide is CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cccnc3)cc2)no1.
What is the InChIKey of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-3-carboxamide?
The InChIKey is NBTTVMZXQVDWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-20(2,3)16-11-17(25-28-16)24-19(27)23-15-8-6-14(7-9-15)22-18(26)13-5-4-10-21-12-13/h4-12H,1-3H3,(H,22,26)(H2,23,24,25,27).
What are the key properties of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-3-carboxamide?
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 4.26, 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]pyridine-3-carboxamide is sourced from PubChem (CID 46883364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).