N-[3-[[6-methyl-2-(quinolin-6-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide

C20H23N7O2 — CID 134284813

IUPACN-[3-[[6-methyl-2-(quinolin-6-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide
SMILESCC(=O)NCCCNc1cc(C)nc(NC(=O)Nc2ccc3ncccc3c2)n1
InChIInChI=1S/C20H23N7O2/c1-13-11-18(23-10-4-9-21-14(2)28)26-19(24-13)27-20(29)25-16-6-7-17-15(12-16)5-3-8-22-17/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,21,28)(H3,23,24,25,26,27,29)
InChIKeyUDTIAACMIVJPKS-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.92
Rot. Bonds7

About N-[3-[[6-methyl-2-(quinolin-6-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide

N-[3-[[6-methyl-2-(quinolin-6-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide (PubChem CID 134284813) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[3-[[6-methyl-2-(quinolin-6-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[[6-methyl-2-(quinolin-6-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide
PubChem CID134284813
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC NameN-[3-[[6-methyl-2-(quinolin-6-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide
SMILESCC(=O)NCCCNc1cc(C)nc(NC(=O)Nc2ccc3ncccc3c2)n1
InChIInChI=1S/C20H23N7O2/c1-13-11-18(23-10-4-9-21-14(2)28)26-19(24-13)27-20(29)25-16-6-7-17-15(12-16)5-3-8-22-17/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,21,28)(H3,23,24,25,26,27,29)
InChIKeyUDTIAACMIVJPKS-UHFFFAOYSA-N
XLogP2.92
TPSA120.93 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-methyl-2-(quinolin-6-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide?
The IUPAC name of N-[3-[[6-methyl-2-(quinolin-6-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide (CID 134284813) is N-[3-[[6-methyl-2-(quinolin-6-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide.
What is the SMILES notation for N-[3-[[6-methyl-2-(quinolin-6-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide?
The canonical SMILES for N-[3-[[6-methyl-2-(quinolin-6-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide is CC(=O)NCCCNc1cc(C)nc(NC(=O)Nc2ccc3ncccc3c2)n1.
What is the InChIKey of N-[3-[[6-methyl-2-(quinolin-6-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide?
The InChIKey is UDTIAACMIVJPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-13-11-18(23-10-4-9-21-14(2)28)26-19(24-13)27-20(29)25-16-6-7-17-15(12-16)5-3-8-22-17/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,21,28)(H3,23,24,25,26,27,29).
What are the key properties of N-[3-[[6-methyl-2-(quinolin-6-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide?
N-[3-[[6-methyl-2-(quinolin-6-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide has a molecular weight of 393.45 g/mol, XLogP of 2.92, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-methyl-2-(quinolin-6-ylcarbamoylamino)pyrimidin-4-yl]amino]propyl]acetamide is sourced from PubChem (CID 134284813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).