2-oxo-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]chromene-3-carboxamide

C21H18N6O3 — CID 122314157

IUPAC2-oxo-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]chromene-3-carboxamide
SMILESO=C(NCCNc1cc(Nc2ccccn2)ncn1)c1cc2ccccc2oc1=O
InChIInChI=1S/C21H18N6O3/c28-20(15-11-14-5-1-2-6-16(14)30-21(15)29)24-10-9-23-18-12-19(26-13-25-18)27-17-7-3-4-8-22-17/h1-8,11-13H,9-10H2,(H,24,28)(H2,22,23,25,26,27)
InChIKeyHPRWYNJDNPKXMJ-UHFFFAOYSA-N
MW402.41 g/mol
LogP2.56
Rot. Bonds7

About 2-oxo-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]chromene-3-carboxamide

2-oxo-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]chromene-3-carboxamide (PubChem CID 122314157) has the molecular formula C21H18N6O3 and a molecular weight of 402.41 g/mol. Its IUPAC name is 2-oxo-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]chromene-3-carboxamide
PubChem CID122314157
Molecular FormulaC21H18N6O3
Molecular Weight402.41 g/mol
Exact Mass402.14
IUPAC Name2-oxo-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]chromene-3-carboxamide
SMILESO=C(NCCNc1cc(Nc2ccccn2)ncn1)c1cc2ccccc2oc1=O
InChIInChI=1S/C21H18N6O3/c28-20(15-11-14-5-1-2-6-16(14)30-21(15)29)24-10-9-23-18-12-19(26-13-25-18)27-17-7-3-4-8-22-17/h1-8,11-13H,9-10H2,(H,24,28)(H2,22,23,25,26,27)
InChIKeyHPRWYNJDNPKXMJ-UHFFFAOYSA-N
XLogP2.56
TPSA122.04 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-1-benzofuran-2-carboxamide
CID 122314281
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2-chloro-4-fluoro-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]benzamide
CID 71800122
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
2,2-diphenyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide
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N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]butanamide
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N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-4-pyrrol-1-ylbenzamide
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2-oxo-N-(2-pyrazol-1-ylethyl)chromene-3-carboxamide
CID 110742740
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-oxochromene-3-carboxamide
CID 122327100
2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]chromene-3-carboxamide
CID 49357043
2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]chromene-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]chromene-3-carboxamide (CID 122314157) is 2-oxo-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]chromene-3-carboxamide is O=C(NCCNc1cc(Nc2ccccn2)ncn1)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]chromene-3-carboxamide?
The InChIKey is HPRWYNJDNPKXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O3/c28-20(15-11-14-5-1-2-6-16(14)30-21(15)29)24-10-9-23-18-12-19(26-13-25-18)27-17-7-3-4-8-22-17/h1-8,11-13H,9-10H2,(H,24,28)(H2,22,23,25,26,27).
What are the key properties of 2-oxo-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]chromene-3-carboxamide?
2-oxo-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]chromene-3-carboxamide has a molecular weight of 402.41 g/mol, XLogP of 2.56, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]chromene-3-carboxamide is sourced from PubChem (CID 122314157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).