N-[2-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethylamino]-2-oxoethyl]benzamide

C19H21N7O2 — CID 122328197

IUPACN-[2-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethylamino]-2-oxoethyl]benzamide
SMILESCc1ccn(-c2cc(NCCNC(=O)CNC(=O)c3ccccc3)ncn2)n1
InChIInChI=1S/C19H21N7O2/c1-14-7-10-26(25-14)17-11-16(23-13-24-17)20-8-9-21-18(27)12-22-19(28)15-5-3-2-4-6-15/h2-7,10-11,13H,8-9,12H2,1H3,(H,21,27)(H,22,28)(H,20,23,24)
InChIKeyFAVXJLVQZVAKME-UHFFFAOYSA-N
MW379.42 g/mol
LogP0.93
Rot. Bonds8

About N-[2-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethylamino]-2-oxoethyl]benzamide

N-[2-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethylamino]-2-oxoethyl]benzamide (PubChem CID 122328197) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[2-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethylamino]-2-oxoethyl]benzamide
PubChem CID122328197
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC NameN-[2-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethylamino]-2-oxoethyl]benzamide
SMILESCc1ccn(-c2cc(NCCNC(=O)CNC(=O)c3ccccc3)ncn2)n1
InChIInChI=1S/C19H21N7O2/c1-14-7-10-26(25-14)17-11-16(23-13-24-17)20-8-9-21-18(27)12-22-19(28)15-5-3-2-4-6-15/h2-7,10-11,13H,8-9,12H2,1H3,(H,21,27)(H,22,28)(H,20,23,24)
InChIKeyFAVXJLVQZVAKME-UHFFFAOYSA-N
XLogP0.93
TPSA113.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzamide
CID 122328343
3-(dimethylamino)-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzamide
CID 122328344
1-methyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-3-phenylpyrazole-5-carboxamide
CID 122328299
N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-3-(tetrazol-1-yl)benzamide
CID 122328399
N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-phenylbutanamide
CID 122328204
N-[2-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 70703115
1-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-3-thiophen-2-ylurea
CID 122328518
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-phenylacetamide
CID 56699991
N-[2-oxo-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 90544511
4-methyl-N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122308022
3-(3-methoxyphenyl)-1-methyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazole-5-carboxamide
CID 122328408
2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 122328514

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethylamino]-2-oxoethyl]benzamide (CID 122328197) is N-[2-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethylamino]-2-oxoethyl]benzamide is Cc1ccn(-c2cc(NCCNC(=O)CNC(=O)c3ccccc3)ncn2)n1.
What is the InChIKey of N-[2-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethylamino]-2-oxoethyl]benzamide?
The InChIKey is FAVXJLVQZVAKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-14-7-10-26(25-14)17-11-16(23-13-24-17)20-8-9-21-18(27)12-22-19(28)15-5-3-2-4-6-15/h2-7,10-11,13H,8-9,12H2,1H3,(H,21,27)(H,22,28)(H,20,23,24).
What are the key properties of N-[2-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethylamino]-2-oxoethyl]benzamide?
N-[2-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethylamino]-2-oxoethyl]benzamide has a molecular weight of 379.42 g/mol, XLogP of 0.93, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 122328197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).