N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-N'-(4-methyl-3-pyridinyl)oxamide

C19H19N5O2 — CID 75394480

IUPACN-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-N'-(4-methyl-3-pyridinyl)oxamide
SMILESCc1ccncc1NC(=O)C(=O)NCc1cccc(-c2cnn(C)c2)c1
InChIInChI=1S/C19H19N5O2/c1-13-6-7-20-11-17(13)23-19(26)18(25)21-9-14-4-3-5-15(8-14)16-10-22-24(2)12-16/h3-8,10-12H,9H2,1-2H3,(H,21,25)(H,23,26)
InChIKeyNRADZKCDRLXOKR-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.05
Rot. Bonds4

About N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-N'-(4-methyl-3-pyridinyl)oxamide

N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-N'-(4-methyl-3-pyridinyl)oxamide (PubChem CID 75394480) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-N'-(4-methyl-3-pyridinyl)oxamide.

Molecular Properties

Compound NameN-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-N'-(4-methyl-3-pyridinyl)oxamide
PubChem CID75394480
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-N'-(4-methyl-3-pyridinyl)oxamide
SMILESCc1ccncc1NC(=O)C(=O)NCc1cccc(-c2cnn(C)c2)c1
InChIInChI=1S/C19H19N5O2/c1-13-6-7-20-11-17(13)23-19(26)18(25)21-9-14-4-3-5-15(8-14)16-10-22-24(2)12-16/h3-8,10-12H,9H2,1-2H3,(H,21,25)(H,23,26)
InChIKeyNRADZKCDRLXOKR-UHFFFAOYSA-N
XLogP2.05
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 110480964
N'-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 3114033
N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-3-propan-2-ylfuran-2-carboxamide
CID 100757837
5-methyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-2-amine
CID 133411690
2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide
CID 86791246
N-[3-(1-methylpyrazol-4-yl)phenyl]pyridine-4-carboxamide
CID 110482049
3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide
CID 110486276
6-chloro-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazin-2-amine
CID 133411679
[3-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 61033657
N-[3-(1-methylpyrazol-4-yl)phenyl]-3-oxobutanamide
CID 110477397
tert-butyl N-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]carbamate
CID 146267007
methyl N-[3-(1-methylpyrazol-4-yl)phenyl]carbamate
CID 110477766

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-N'-(4-methyl-3-pyridinyl)oxamide?
The IUPAC name of N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-N'-(4-methyl-3-pyridinyl)oxamide (CID 75394480) is N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-N'-(4-methyl-3-pyridinyl)oxamide.
What is the SMILES notation for N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-N'-(4-methyl-3-pyridinyl)oxamide?
The canonical SMILES for N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-N'-(4-methyl-3-pyridinyl)oxamide is Cc1ccncc1NC(=O)C(=O)NCc1cccc(-c2cnn(C)c2)c1.
What is the InChIKey of N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-N'-(4-methyl-3-pyridinyl)oxamide?
The InChIKey is NRADZKCDRLXOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-13-6-7-20-11-17(13)23-19(26)18(25)21-9-14-4-3-5-15(8-14)16-10-22-24(2)12-16/h3-8,10-12H,9H2,1-2H3,(H,21,25)(H,23,26).
What are the key properties of N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-N'-(4-methyl-3-pyridinyl)oxamide?
N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-N'-(4-methyl-3-pyridinyl)oxamide has a molecular weight of 349.39 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-N'-(4-methyl-3-pyridinyl)oxamide is sourced from PubChem (CID 75394480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).