N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-6-(methylaminomethyl)pyridine-2-carboxamide

C22H26N6O3 — CID 70649792

IUPACN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-6-(methylaminomethyl)pyridine-2-carboxamide
SMILESCNCc1cccc(C(=O)Nc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)n1
InChIInChI=1S/C22H26N6O3/c1-22(2,3)18-12-19(28-31-18)27-21(30)26-15-10-8-14(9-11-15)25-20(29)17-7-5-6-16(24-17)13-23-4/h5-12,23H,13H2,1-4H3,(H,25,29)(H2,26,27,28,30)
InChIKeyDKYXJUNVOBIWKP-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.98
Rot. Bonds6

About N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-6-(methylaminomethyl)pyridine-2-carboxamide

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-6-(methylaminomethyl)pyridine-2-carboxamide (PubChem CID 70649792) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-6-(methylaminomethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-6-(methylaminomethyl)pyridine-2-carboxamide
PubChem CID70649792
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-6-(methylaminomethyl)pyridine-2-carboxamide
SMILESCNCc1cccc(C(=O)Nc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)n1
InChIInChI=1S/C22H26N6O3/c1-22(2,3)18-12-19(28-31-18)27-21(30)26-15-10-8-14(9-11-15)25-20(29)17-7-5-6-16(24-17)13-23-4/h5-12,23H,13H2,1-4H3,(H,25,29)(H2,26,27,28,30)
InChIKeyDKYXJUNVOBIWKP-UHFFFAOYSA-N
XLogP3.98
TPSA121.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-6-(methylaminomethyl)pyridine-2-carboxamide with MolForge

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Related Compounds

6-(aminomethyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-2-carboxamide
CID 54760984
1-[4-[2-[6-(aminomethyl)-2-pyridinyl]-2-oxoethyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea;hydrochloride
CID 159842441
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2,6-dichlorobenzamide
CID 59381180
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]thiadiazole-4-carboxamide
CID 59380993
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2,6-difluorobenzamide
CID 59381141
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea
CID 2813558
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-phenylbenzamide
CID 46883422
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]phenyl]-6-chloropyridine-2-carboxamide
CID 59420530
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid
CID 59380957
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(isoquinolin-3-ylmethylamino)phenyl]urea
CID 143052426
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-ethylbenzamide
CID 11441130
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-4-ylbenzamide
CID 46883461

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-6-(methylaminomethyl)pyridine-2-carboxamide?
The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-6-(methylaminomethyl)pyridine-2-carboxamide (CID 70649792) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-6-(methylaminomethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-6-(methylaminomethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-6-(methylaminomethyl)pyridine-2-carboxamide is CNCc1cccc(C(=O)Nc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)n1.
What is the InChIKey of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-6-(methylaminomethyl)pyridine-2-carboxamide?
The InChIKey is DKYXJUNVOBIWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-22(2,3)18-12-19(28-31-18)27-21(30)26-15-10-8-14(9-11-15)25-20(29)17-7-5-6-16(24-17)13-23-4/h5-12,23H,13H2,1-4H3,(H,25,29)(H2,26,27,28,30).
What are the key properties of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-6-(methylaminomethyl)pyridine-2-carboxamide?
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-6-(methylaminomethyl)pyridine-2-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 3.98, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-6-(methylaminomethyl)pyridine-2-carboxamide is sourced from PubChem (CID 70649792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).