N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-1-benzofuran-2-carboxamide

C20H18N6O2 — CID 122314281

IUPACN-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCNc1cc(Nc2ccccn2)ncn1)c1cc2ccccc2o1
InChIInChI=1S/C20H18N6O2/c27-20(16-11-14-5-1-2-6-15(14)28-16)23-10-9-22-18-12-19(25-13-24-18)26-17-7-3-4-8-21-17/h1-8,11-13H,9-10H2,(H,23,27)(H2,21,22,24,25,26)
InChIKeyQSPOHUFPTPVWKC-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.20
Rot. Bonds7

About N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-1-benzofuran-2-carboxamide

N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-1-benzofuran-2-carboxamide (PubChem CID 122314281) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-1-benzofuran-2-carboxamide
PubChem CID122314281
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC NameN-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCNc1cc(Nc2ccccn2)ncn1)c1cc2ccccc2o1
InChIInChI=1S/C20H18N6O2/c27-20(16-11-14-5-1-2-6-15(14)28-16)23-10-9-22-18-12-19(25-13-24-18)26-17-7-3-4-8-21-17/h1-8,11-13H,9-10H2,(H,23,27)(H2,21,22,24,25,26)
InChIKeyQSPOHUFPTPVWKC-UHFFFAOYSA-N
XLogP3.20
TPSA104.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.20
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

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]quinoline-2-carboxamide
CID 122314258
N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]quinoxaline-6-carboxamide
CID 122314374
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]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
N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1-benzofuran-2-carboxamide
CID 122289354
2-phenyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide
CID 71800128
N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 122316364
N-[2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62659751

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-1-benzofuran-2-carboxamide (CID 122314281) is N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-1-benzofuran-2-carboxamide is O=C(NCCNc1cc(Nc2ccccn2)ncn1)c1cc2ccccc2o1.
What is the InChIKey of N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is QSPOHUFPTPVWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c27-20(16-11-14-5-1-2-6-15(14)28-16)23-10-9-22-18-12-19(25-13-24-18)26-17-7-3-4-8-21-17/h1-8,11-13H,9-10H2,(H,23,27)(H2,21,22,24,25,26).
What are the key properties of N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-1-benzofuran-2-carboxamide?
N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.20, 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]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 122314281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).