3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]-N-pyrimidin-4-ylfuro[2,3-c]pyridine-2-carboxamide

C21H16N6O3 — CID 90736294

IUPAC3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]-N-pyrimidin-4-ylfuro[2,3-c]pyridine-2-carboxamide
SMILESO=NC1CCc2cc(Nc3c(C(=O)Nc4ccncn4)oc4cnccc34)ccc21
InChIInChI=1S/C21H16N6O3/c28-21(26-18-6-8-23-11-24-18)20-19(15-5-7-22-10-17(15)30-20)25-13-2-3-14-12(9-13)1-4-16(14)27-29/h2-3,5-11,16,25H,1,4H2,(H,23,24,26,28)
InChIKeyHDAREVPNOIJMNB-UHFFFAOYSA-N
MW400.40 g/mol
LogP4.37
Rot. Bonds5

About 3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]-N-pyrimidin-4-ylfuro[2,3-c]pyridine-2-carboxamide

3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]-N-pyrimidin-4-ylfuro[2,3-c]pyridine-2-carboxamide (PubChem CID 90736294) has the molecular formula C21H16N6O3 and a molecular weight of 400.40 g/mol. Its IUPAC name is 3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]-N-pyrimidin-4-ylfuro[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]-N-pyrimidin-4-ylfuro[2,3-c]pyridine-2-carboxamide
PubChem CID90736294
Molecular FormulaC21H16N6O3
Molecular Weight400.40 g/mol
Exact Mass400.13
IUPAC Name3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]-N-pyrimidin-4-ylfuro[2,3-c]pyridine-2-carboxamide
SMILESO=NC1CCc2cc(Nc3c(C(=O)Nc4ccncn4)oc4cnccc34)ccc21
InChIInChI=1S/C21H16N6O3/c28-21(26-18-6-8-23-11-24-18)20-19(15-5-7-22-10-17(15)30-20)25-13-2-3-14-12(9-13)1-4-16(14)27-29/h2-3,5-11,16,25H,1,4H2,(H,23,24,26,28)
InChIKeyHDAREVPNOIJMNB-UHFFFAOYSA-N
XLogP4.37
TPSA122.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(5-Hydroxynaphthalen-2-Yl)amino]-N-(Pyrimidin-4-Yl)furo[2,3-C]pyridine-2-Carboxamide
CID 16044861
(NE)-N-[5-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 135401910
5-(2-(Pyrimidin-2-yl)furo[2,3-c]pyridin-3-ylamino)isoindolin-1-one oxime
CID 136160805
5-(2-(Pyrimidin-2-yl)furo[2,3-c]pyridin-3-ylamino)-2,3-dihydro-1h-inden-1-one
CID 16045087
N-[2-(dimethylamino)ethyl]-3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxamide
CID 53316582
3-(1-(hydroxyimino)isoindolin-5-ylamino)-N-isopropylfuro[2,3-c]pyridine-2-carboxamide
CID 53319337
3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]-N,N-dimethylfuro[2,3-c]pyridine-2-carboxamide
CID 53316581
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]furo[3,2-c]pyridine-2-carboxamide
CID 90683911
N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-pyridin-4-ylphenyl]furan-2-carboxamide
CID 76336058
N-[4-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]phenyl]furo[3,2-b]pyridine-2-carboxamide
CID 177374621
Cambridge id 6026778
CID 1123581
N-(2-methyl-3-[1,3]oxazolo[4,5-b]pyridin-2-ylphenyl)-1-benzofuran-2-carboxamide
CID 1129039

Frequently Asked Questions

What is the IUPAC name of 3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]-N-pyrimidin-4-ylfuro[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]-N-pyrimidin-4-ylfuro[2,3-c]pyridine-2-carboxamide (CID 90736294) is 3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]-N-pyrimidin-4-ylfuro[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]-N-pyrimidin-4-ylfuro[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]-N-pyrimidin-4-ylfuro[2,3-c]pyridine-2-carboxamide is O=NC1CCc2cc(Nc3c(C(=O)Nc4ccncn4)oc4cnccc34)ccc21.
What is the InChIKey of 3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]-N-pyrimidin-4-ylfuro[2,3-c]pyridine-2-carboxamide?
The InChIKey is HDAREVPNOIJMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O3/c28-21(26-18-6-8-23-11-24-18)20-19(15-5-7-22-10-17(15)30-20)25-13-2-3-14-12(9-13)1-4-16(14)27-29/h2-3,5-11,16,25H,1,4H2,(H,23,24,26,28).
What are the key properties of 3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]-N-pyrimidin-4-ylfuro[2,3-c]pyridine-2-carboxamide?
3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]-N-pyrimidin-4-ylfuro[2,3-c]pyridine-2-carboxamide has a molecular weight of 400.40 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]-N-pyrimidin-4-ylfuro[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90736294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).