N-[4-[[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide

C20H23N7O2 — CID 170730825

IUPACN-[4-[[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)nc(C3CCOC3)n2)c(-c2ccn(C)n2)cn1
InChIInChI=1S/C20H23N7O2/c1-12-8-19(25-20(22-12)14-5-7-29-11-14)24-17-9-18(23-13(2)28)21-10-15(17)16-4-6-27(3)26-16/h4,6,8-10,14H,5,7,11H2,1-3H3,(H2,21,22,23,24,25,28)
InChIKeyRJLSFIAIGBMFMX-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.79
Rot. Bonds5

About N-[4-[[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide

N-[4-[[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide (PubChem CID 170730825) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[4-[[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
PubChem CID170730825
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC NameN-[4-[[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)nc(C3CCOC3)n2)c(-c2ccn(C)n2)cn1
InChIInChI=1S/C20H23N7O2/c1-12-8-19(25-20(22-12)14-5-7-29-11-14)24-17-9-18(23-13(2)28)21-10-15(17)16-4-6-27(3)26-16/h4,6,8-10,14H,5,7,11H2,1-3H3,(H2,21,22,23,24,25,28)
InChIKeyRJLSFIAIGBMFMX-UHFFFAOYSA-N
XLogP2.79
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 175991041
N-[4-[[4-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918615
N-[3-cyclopropyl-1-[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide
CID 170577089
N-[4-[[4-(methoxymethyl)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918499
N-[4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918982
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-2-pyridinyl]acetamide
CID 175990779
N-[4-[[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 170730760
N-[4-(3-fluoro-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918388
N-[1-[2-(oxolan-3-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170576845
N-[4-[(3-methoxy-6-methylsulfonyl-2-pyridinyl)amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918696
N-[4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918359
N-[4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-2-pyridinyl]acetamide
CID 166918895

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide (CID 170730825) is N-[4-[[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2cc(C)nc(C3CCOC3)n2)c(-c2ccn(C)n2)cn1.
What is the InChIKey of N-[4-[[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide?
The InChIKey is RJLSFIAIGBMFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-12-8-19(25-20(22-12)14-5-7-29-11-14)24-17-9-18(23-13(2)28)21-10-15(17)16-4-6-27(3)26-16/h4,6,8-10,14H,5,7,11H2,1-3H3,(H2,21,22,23,24,25,28).
What are the key properties of N-[4-[[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide?
N-[4-[[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide has a molecular weight of 393.45 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 170730825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).