N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide

C17H17N5O2 — CID 70234459

IUPACN-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(CNc3cccnc3N)c2)on1
InChIInChI=1S/C17H17N5O2/c1-11-8-15(24-22-11)17(23)21-13-5-2-4-12(9-13)10-20-14-6-3-7-19-16(14)18/h2-9,20H,10H2,1H3,(H2,18,19)(H,21,23)
InChIKeyMIZRTTVCRPNWPM-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.82
Rot. Bonds5

About N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 70234459) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID70234459
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(CNc3cccnc3N)c2)on1
InChIInChI=1S/C17H17N5O2/c1-11-8-15(24-22-11)17(23)21-13-5-2-4-12(9-13)10-20-14-6-3-7-19-16(14)18/h2-9,20H,10H2,1H3,(H2,18,19)(H,21,23)
InChIKeyMIZRTTVCRPNWPM-UHFFFAOYSA-N
XLogP2.82
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 58448614
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 70233600
N-[3-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 63254601
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-bromothiophene-2-carboxamide
CID 70234206
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-cyano-1-methylpyrazole-3-carboxamide
CID 70233896
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]formamide
CID 143980472
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-(1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 70234437
N-(2-aminophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43600005
3-methyl-N-[3-[(2-phenylacetyl)amino]phenyl]-1,2-oxazole-5-carboxamide
CID 43911461
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-[4-(methylamino)but-2-ynoxy]pyrazine-2-carboxamide
CID 70233726
3-methyl-N-[3-(pyridine-4-carbonylamino)phenyl]-1,2-oxazole-5-carboxamide
CID 39186715
N-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16606648

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 70234459) is N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2cccc(CNc3cccnc3N)c2)on1.
What is the InChIKey of N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is MIZRTTVCRPNWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-11-8-15(24-22-11)17(23)21-13-5-2-4-12(9-13)10-20-14-6-3-7-19-16(14)18/h2-9,20H,10H2,1H3,(H2,18,19)(H,21,23).
What are the key properties of N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 70234459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).