3-[[1-(hydroxyamino)-3H-isoindol-5-yl]amino]-N-propan-2-ylfuro[2,3-c]pyridine-2-carboxamide

C19H19N5O3 — CID 53319337

IUPAC3-[[1-(hydroxyamino)-3H-isoindol-5-yl]amino]-N-propan-2-ylfuro[2,3-c]pyridine-2-carboxamide
SMILESCC(C)NC(=O)c1oc2cnccc2c1Nc1ccc2c(c1)CN=C2NO
InChIInChI=1S/C19H19N5O3/c1-10(2)22-19(25)17-16(14-5-6-20-9-15(14)27-17)23-12-3-4-13-11(7-12)8-21-18(13)24-26/h3-7,9-10,23,26H,8H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyGZFJKLCZUGRQGP-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.95
Rot. Bonds4

About 3-[[1-(hydroxyamino)-3H-isoindol-5-yl]amino]-N-propan-2-ylfuro[2,3-c]pyridine-2-carboxamide

3-[[1-(hydroxyamino)-3H-isoindol-5-yl]amino]-N-propan-2-ylfuro[2,3-c]pyridine-2-carboxamide (PubChem CID 53319337) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 3-[[1-(hydroxyamino)-3H-isoindol-5-yl]amino]-N-propan-2-ylfuro[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[[1-(hydroxyamino)-3H-isoindol-5-yl]amino]-N-propan-2-ylfuro[2,3-c]pyridine-2-carboxamide
PubChem CID53319337
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name3-[[1-(hydroxyamino)-3H-isoindol-5-yl]amino]-N-propan-2-ylfuro[2,3-c]pyridine-2-carboxamide
SMILESCC(C)NC(=O)c1oc2cnccc2c1Nc1ccc2c(c1)CN=C2NO
InChIInChI=1S/C19H19N5O3/c1-10(2)22-19(25)17-16(14-5-6-20-9-15(14)27-17)23-12-3-4-13-11(7-12)8-21-18(13)24-26/h3-7,9-10,23,26H,8H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyGZFJKLCZUGRQGP-UHFFFAOYSA-N
XLogP2.95
TPSA111.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2-(Pyrimidin-2-yl)furo[2,3-c]pyridin-3-ylamino)isoindolin-1-one oxime
CID 136160805
(NE)-N-[5-[[2-(4-methylphenyl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 16045682
Ethyl 3-(5-aminonaphthalen-2-ylamino)furo[2,3-c]pyridine-2-carboxylate
CID 16045759
3-(5-Hydroxynaphthalen-2-ylamino)-n-isopropylfuro[2,3-c]pyridine-2-carboxamide
CID 16046014
N-[2-(dimethylamino)ethyl]-3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxamide
CID 53316582
(E)-ethyl 3-(1-(hydroxyimino)-2,3-dihydro-1H-inden-5-ylamino)furo[2,3-c]pyridine-2-carboxylate
CID 53316685
Ethyl 3-(1-oxo-2,3-dihydro-1h-inden-5-ylamino)furo[2,3-c]pyridine-2-carboxylate
CID 53317522
Ethyl 3-(naphthalen-2-ylamino)furo[2,3-c]pyridine-2-carboxylate
CID 53319338
(NE)-N-[5-[(2-pyridin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 136030631
3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]-N,N-dimethylfuro[2,3-c]pyridine-2-carboxamide
CID 53316581
(NZ)-N-[5-[(2-pyridin-3-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 53316583
N-(2-(dimethylamino)vinyl)-3-(5-hydroxynaphthalen-2-ylamino)furo[2,3-c]pyridine-2-carboxamide
CID 53321929

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(hydroxyamino)-3H-isoindol-5-yl]amino]-N-propan-2-ylfuro[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 3-[[1-(hydroxyamino)-3H-isoindol-5-yl]amino]-N-propan-2-ylfuro[2,3-c]pyridine-2-carboxamide (CID 53319337) is 3-[[1-(hydroxyamino)-3H-isoindol-5-yl]amino]-N-propan-2-ylfuro[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-[[1-(hydroxyamino)-3H-isoindol-5-yl]amino]-N-propan-2-ylfuro[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 3-[[1-(hydroxyamino)-3H-isoindol-5-yl]amino]-N-propan-2-ylfuro[2,3-c]pyridine-2-carboxamide is CC(C)NC(=O)c1oc2cnccc2c1Nc1ccc2c(c1)CN=C2NO.
What is the InChIKey of 3-[[1-(hydroxyamino)-3H-isoindol-5-yl]amino]-N-propan-2-ylfuro[2,3-c]pyridine-2-carboxamide?
The InChIKey is GZFJKLCZUGRQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-10(2)22-19(25)17-16(14-5-6-20-9-15(14)27-17)23-12-3-4-13-11(7-12)8-21-18(13)24-26/h3-7,9-10,23,26H,8H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 3-[[1-(hydroxyamino)-3H-isoindol-5-yl]amino]-N-propan-2-ylfuro[2,3-c]pyridine-2-carboxamide?
3-[[1-(hydroxyamino)-3H-isoindol-5-yl]amino]-N-propan-2-ylfuro[2,3-c]pyridine-2-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(hydroxyamino)-3H-isoindol-5-yl]amino]-N-propan-2-ylfuro[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 53319337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).