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

C20H21N5O3 — CID 46883365

IUPACN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-4-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccncc3)cc2)no1
InChIInChI=1S/C20H21N5O3/c1-20(2,3)16-12-17(25-28-16)24-19(27)23-15-6-4-14(5-7-15)22-18(26)13-8-10-21-11-9-13/h4-12H,1-3H3,(H,22,26)(H2,23,24,25,27)
InChIKeyYJKUGONIJWVAHM-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.26
Rot. Bonds4

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

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-4-carboxamide (PubChem CID 46883365) 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-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-4-carboxamide
PubChem CID46883365
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-4-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccncc3)cc2)no1
InChIInChI=1S/C20H21N5O3/c1-20(2,3)16-12-17(25-28-16)24-19(27)23-15-6-4-14(5-7-15)22-18(26)13-8-10-21-11-9-13/h4-12H,1-3H3,(H,22,26)(H2,23,24,25,27)
InChIKeyYJKUGONIJWVAHM-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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Related Compounds

3-IsoquinolinecarboxaMide, N-[4-[[[[5-(1,1-diMethylethyl)-3-isoxazolyl]aMino]carbonyl]aMino]phenyl]-
CID 11189588
N-(4-(3-(5-tert-butylisoxazol-3-yl)ureido)phenyl)picolinamide
CID 11280411
N-(4-(3-(5-tert-butylisoxazol-3-yl)ureido)phenyl)benzamide
CID 11485752
N-(4-(3-(5-tert-butylisoxazol-3-yl)ureido)phenyl)isoquinoline-1-carboxamide
CID 44622838
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 54761162
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxamide
CID 54761676
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-methylpyridine-2-carboxamide
CID 60055686
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-methylpyridine-2-carboxamide
CID 71461137
1-(5-Tert-butylisoxazol-3-yl)-3-(4-(pyridin-4-ylmethyl)phenyl)urea
CID 9950282
N-(4-(3-(5-tert-butylisoxazol-3-yl)ureido)phenyl)piperidine-4-carboxamide
CID 46883325
N-(4-(3-(5-tert-butylisoxazol-3-yl)ureido)phenyl)nicotinamide
CID 46883364
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 54761337

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-4-carboxamide (CID 46883365) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-4-carboxamide is CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccncc3)cc2)no1.
What is the InChIKey of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-4-carboxamide?
The InChIKey is YJKUGONIJWVAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-20(2,3)16-12-17(25-28-16)24-19(27)23-15-6-4-14(5-7-15)22-18(26)13-8-10-21-11-9-13/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-4-carboxamide?
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-4-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-4-carboxamide is sourced from PubChem (CID 46883365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).