N-(2-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide

C21H23N7O2 — CID 122348977

IUPACN-(2-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1
InChIInChI=1S/C21H23N7O2/c1-30-17-7-3-2-6-16(17)25-21(29)28-12-10-27(11-13-28)20-14-19(23-15-24-20)26-18-8-4-5-9-22-18/h2-9,14-15H,10-13H2,1H3,(H,25,29)(H,22,23,24,26)
InChIKeyGREZPDDKLVFJSO-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.98
Rot. Bonds5

About N-(2-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide

N-(2-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide (PubChem CID 122348977) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide
PubChem CID122348977
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC NameN-(2-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1
InChIInChI=1S/C21H23N7O2/c1-30-17-7-3-2-6-16(17)25-21(29)28-12-10-27(11-13-28)20-14-19(23-15-24-20)26-18-8-4-5-9-22-18/h2-9,14-15H,10-13H2,1H3,(H,25,29)(H,22,23,24,26)
InChIKeyGREZPDDKLVFJSO-UHFFFAOYSA-N
XLogP2.98
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 42111702
4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]-N-thiophen-2-ylpiperazine-1-carboxamide
CID 122349281
N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53103891
2-(2-methylphenoxy)-1-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122349075
2-ethyl-1-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]butan-1-one
CID 122348904
N-(4-methoxy-2-methylphenyl)-4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide
CID 71800266
4-(3-chloro-2-pyridinyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 47075750
(2-methoxyphenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122349323
4-[6-(pyridin-2-ylamino)pyridazin-3-yl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 121064963
(3-methylphenyl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122348910
1-[4-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858485
2-(4-fluorophenoxy)-1-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122349079

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide (CID 122348977) is N-(2-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide is COc1ccccc1NC(=O)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide?
The InChIKey is GREZPDDKLVFJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-30-17-7-3-2-6-16(17)25-21(29)28-12-10-27(11-13-28)20-14-19(23-15-24-20)26-18-8-4-5-9-22-18/h2-9,14-15H,10-13H2,1H3,(H,25,29)(H,22,23,24,26).
What are the key properties of N-(2-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide?
N-(2-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 122348977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).