N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide

C19H23N7O2 — CID 122325741

IUPACN-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCCNc1nc(C)cc(Nc2ccc(NC(=O)c3cn(C)nc3OC)cc2)n1
InChIInChI=1S/C19H23N7O2/c1-5-20-19-21-12(2)10-16(24-19)22-13-6-8-14(9-7-13)23-17(27)15-11-26(3)25-18(15)28-4/h6-11H,5H2,1-4H3,(H,23,27)(H2,20,21,22,24)
InChIKeyUSDFLDYNWYFMNV-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.95
Rot. Bonds7

About N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide

N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 122325741) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID122325741
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC NameN-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCCNc1nc(C)cc(Nc2ccc(NC(=O)c3cn(C)nc3OC)cc2)n1
InChIInChI=1S/C19H23N7O2/c1-5-20-19-21-12(2)10-16(24-19)22-13-6-8-14(9-7-13)23-17(27)15-11-26(3)25-18(15)28-4/h6-11H,5H2,1-4H3,(H,23,27)(H2,20,21,22,24)
InChIKeyUSDFLDYNWYFMNV-UHFFFAOYSA-N
XLogP2.95
TPSA105.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide with MolForge

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Related Compounds

N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2,3-dimethoxybenzamide
CID 122325626
2-bromo-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-5-methoxybenzamide
CID 122325809
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]furan-3-carboxamide
CID 122325764
3-chloro-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]benzamide
CID 53047804
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1,2-oxazole-5-carboxamide
CID 122325693
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]indolizine-2-carboxamide
CID 122325822
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-fluorobenzamide
CID 53047801
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-phenyltriazole-4-carboxamide
CID 122325694
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-pyrrol-1-ylacetamide
CID 122325817
2-chloro-N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide
CID 44522261
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 122325725
2-ethoxy-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]naphthalene-1-carboxamide
CID 122325711

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide (CID 122325741) is N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide is CCNc1nc(C)cc(Nc2ccc(NC(=O)c3cn(C)nc3OC)cc2)n1.
What is the InChIKey of N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is USDFLDYNWYFMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-5-20-19-21-12(2)10-16(24-19)22-13-6-8-14(9-7-13)23-17(27)15-11-26(3)25-18(15)28-4/h6-11H,5H2,1-4H3,(H,23,27)(H2,20,21,22,24).
What are the key properties of N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.95, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 122325741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).