N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]quinoline-2-carboxamide

C21H19N7O — CID 122314258

IUPACN-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]quinoline-2-carboxamide
SMILESO=C(NCCNc1cc(Nc2ccccn2)ncn1)c1ccc2ccccc2n1
InChIInChI=1S/C21H19N7O/c29-21(17-9-8-15-5-1-2-6-16(15)27-17)24-12-11-23-19-13-20(26-14-25-19)28-18-7-3-4-10-22-18/h1-10,13-14H,11-12H2,(H,24,29)(H2,22,23,25,26,28)
InChIKeyFXNGXHGCCLWPAR-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.01
Rot. Bonds7

About N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]quinoline-2-carboxamide

N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]quinoline-2-carboxamide (PubChem CID 122314258) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]quinoline-2-carboxamide
PubChem CID122314258
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC NameN-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]quinoline-2-carboxamide
SMILESO=C(NCCNc1cc(Nc2ccccn2)ncn1)c1ccc2ccccc2n1
InChIInChI=1S/C21H19N7O/c29-21(17-9-8-15-5-1-2-6-16(15)27-17)24-12-11-23-19-13-20(26-14-25-19)28-18-7-3-4-10-22-18/h1-10,13-14H,11-12H2,(H,24,29)(H2,22,23,25,26,28)
InChIKeyFXNGXHGCCLWPAR-UHFFFAOYSA-N
XLogP3.01
TPSA104.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.01
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

N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-1,3-benzothiazole-2-carboxamide
CID 122314294
N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-1-benzofuran-2-carboxamide
CID 122314281
N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]quinoxaline-6-carboxamide
CID 122314374
2-oxo-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]chromene-3-carboxamide
CID 122314157
N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide
CID 122314104
N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-4-pyrrol-1-ylbenzamide
CID 122314351
2,2-diphenyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 122314152
2-chloro-4-fluoro-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]benzamide
CID 71800122
2-phenyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide
CID 71800128
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
2-methyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]benzamide
CID 122314928
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]quinoline-2-carboxamide
CID 122325377

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]quinoline-2-carboxamide?
The IUPAC name of N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]quinoline-2-carboxamide (CID 122314258) is N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]quinoline-2-carboxamide?
The canonical SMILES for N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]quinoline-2-carboxamide is O=C(NCCNc1cc(Nc2ccccn2)ncn1)c1ccc2ccccc2n1.
What is the InChIKey of N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]quinoline-2-carboxamide?
The InChIKey is FXNGXHGCCLWPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O/c29-21(17-9-8-15-5-1-2-6-16(15)27-17)24-12-11-23-19-13-20(26-14-25-19)28-18-7-3-4-10-22-18/h1-10,13-14H,11-12H2,(H,24,29)(H2,22,23,25,26,28).
What are the key properties of N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]quinoline-2-carboxamide?
N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]quinoline-2-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 3.01, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]quinoline-2-carboxamide is sourced from PubChem (CID 122314258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).