N,3-dimethoxy-5-[2-[2-(1H-pyrazol-4-ylamino)pyrimidin-5-yl]ethyl]benzamide

C18H20N6O3 — CID 86304983

IUPACN,3-dimethoxy-5-[2-[2-(1H-pyrazol-4-ylamino)pyrimidin-5-yl]ethyl]benzamide
SMILESCONC(=O)c1cc(CCc2cnc(Nc3cn[nH]c3)nc2)cc(OC)c1
InChIInChI=1S/C18H20N6O3/c1-26-16-6-12(5-14(7-16)17(25)24-27-2)3-4-13-8-19-18(20-9-13)23-15-10-21-22-11-15/h5-11H,3-4H2,1-2H3,(H,21,22)(H,24,25)(H,19,20,23)
InChIKeyUFUBBKXLRMBALR-UHFFFAOYSA-N
MW368.40 g/mol
LogP2.03
Rot. Bonds8

About N,3-dimethoxy-5-[2-[2-(1H-pyrazol-4-ylamino)pyrimidin-5-yl]ethyl]benzamide

N,3-dimethoxy-5-[2-[2-(1H-pyrazol-4-ylamino)pyrimidin-5-yl]ethyl]benzamide (PubChem CID 86304983) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is N,3-dimethoxy-5-[2-[2-(1H-pyrazol-4-ylamino)pyrimidin-5-yl]ethyl]benzamide.

Molecular Properties

Compound NameN,3-dimethoxy-5-[2-[2-(1H-pyrazol-4-ylamino)pyrimidin-5-yl]ethyl]benzamide
PubChem CID86304983
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC NameN,3-dimethoxy-5-[2-[2-(1H-pyrazol-4-ylamino)pyrimidin-5-yl]ethyl]benzamide
SMILESCONC(=O)c1cc(CCc2cnc(Nc3cn[nH]c3)nc2)cc(OC)c1
InChIInChI=1S/C18H20N6O3/c1-26-16-6-12(5-14(7-16)17(25)24-27-2)3-4-13-8-19-18(20-9-13)23-15-10-21-22-11-15/h5-11H,3-4H2,1-2H3,(H,21,22)(H,24,25)(H,19,20,23)
InChIKeyUFUBBKXLRMBALR-UHFFFAOYSA-N
XLogP2.03
TPSA114.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-[2-(4-fluoroanilino)pyrimidin-5-yl]ethyl]-N-methoxybenzamide
CID 90435317
1-[3-[2-[2-(4-chloroanilino)pyrimidin-5-yl]ethyl]-5-methoxyphenyl]-2-methoxyethanone
CID 162164185
3-[2-[2-[3-[(5R,7R)-5,7-dimethyl-1,3,6-thiadiazepan-3-yl]anilino]pyrimidin-5-yl]ethyl]-5-methoxy-N-methylbenzamide
CID 163851478
3,5-dimethoxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide
CID 77093843
methanol;3-methoxy-5-[2-(2-methylpyrimidin-5-yl)ethyl]benzamide;molecular hydrogen
CID 144699732
2-methoxy-1-[3-methoxy-5-[2-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]ethyl]phenyl]ethanone
CID 162168380
4-methoxy-N-(1H-pyrazol-4-yl)benzamide
CID 43429414
5-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine
CID 141388735
3-[2-[2-[4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]anilino]pyrimidin-5-yl]ethyl]-4-fluoro-N,5-dimethoxybenzamide
CID 86304475
5-bromo-N-(1H-pyrazol-4-yl)pyrimidin-2-amine
CID 130622125
methanamine;methanol;3-methoxy-5-[2-[2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]ethyl]benzaldehyde
CID 144699807
N-methoxy-3-(pyrimidin-2-ylamino)benzamide
CID 38013437

Frequently Asked Questions

What is the IUPAC name of N,3-dimethoxy-5-[2-[2-(1H-pyrazol-4-ylamino)pyrimidin-5-yl]ethyl]benzamide?
The IUPAC name of N,3-dimethoxy-5-[2-[2-(1H-pyrazol-4-ylamino)pyrimidin-5-yl]ethyl]benzamide (CID 86304983) is N,3-dimethoxy-5-[2-[2-(1H-pyrazol-4-ylamino)pyrimidin-5-yl]ethyl]benzamide.
What is the SMILES notation for N,3-dimethoxy-5-[2-[2-(1H-pyrazol-4-ylamino)pyrimidin-5-yl]ethyl]benzamide?
The canonical SMILES for N,3-dimethoxy-5-[2-[2-(1H-pyrazol-4-ylamino)pyrimidin-5-yl]ethyl]benzamide is CONC(=O)c1cc(CCc2cnc(Nc3cn[nH]c3)nc2)cc(OC)c1.
What is the InChIKey of N,3-dimethoxy-5-[2-[2-(1H-pyrazol-4-ylamino)pyrimidin-5-yl]ethyl]benzamide?
The InChIKey is UFUBBKXLRMBALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-26-16-6-12(5-14(7-16)17(25)24-27-2)3-4-13-8-19-18(20-9-13)23-15-10-21-22-11-15/h5-11H,3-4H2,1-2H3,(H,21,22)(H,24,25)(H,19,20,23).
What are the key properties of N,3-dimethoxy-5-[2-[2-(1H-pyrazol-4-ylamino)pyrimidin-5-yl]ethyl]benzamide?
N,3-dimethoxy-5-[2-[2-(1H-pyrazol-4-ylamino)pyrimidin-5-yl]ethyl]benzamide has a molecular weight of 368.40 g/mol, XLogP of 2.03, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethoxy-5-[2-[2-(1H-pyrazol-4-ylamino)pyrimidin-5-yl]ethyl]benzamide is sourced from PubChem (CID 86304983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).