N-[2-(dimethylamino)ethyl]-3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxamide

C21H23N5O3 — CID 53316582

IUPACN-[2-(dimethylamino)ethyl]-3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1oc2cnccc2c1Nc1ccc2c(c1)CC/C2=N\O
InChIInChI=1S/C21H23N5O3/c1-26(2)10-9-23-21(27)20-19(16-7-8-22-12-18(16)29-20)24-14-4-5-15-13(11-14)3-6-17(15)25-28/h4-5,7-8,11-12,24,28H,3,6,9-10H2,1-2H3,(H,23,27)/b25-17+
InChIKeyPVDQHLYZQBCVLS-KOEQRZSOSA-N
MW393.45 g/mol
LogP2.99
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxamide

N-[2-(dimethylamino)ethyl]-3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 53316582) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxamide
PubChem CID53316582
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1oc2cnccc2c1Nc1ccc2c(c1)CC/C2=N\O
InChIInChI=1S/C21H23N5O3/c1-26(2)10-9-23-21(27)20-19(16-7-8-22-12-18(16)29-20)24-14-4-5-15-13(11-14)3-6-17(15)25-28/h4-5,7-8,11-12,24,28H,3,6,9-10H2,1-2H3,(H,23,27)/b25-17+
InChIKeyPVDQHLYZQBCVLS-KOEQRZSOSA-N
XLogP2.99
TPSA102.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxamide (CID 53316582) is N-[2-(dimethylamino)ethyl]-3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxamide is CN(C)CCNC(=O)c1oc2cnccc2c1Nc1ccc2c(c1)CC/C2=N\O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is PVDQHLYZQBCVLS-KOEQRZSOSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-26(2)10-9-23-21(27)20-19(16-7-8-22-12-18(16)29-20)24-14-4-5-15-13(11-14)3-6-17(15)25-28/h4-5,7-8,11-12,24,28H,3,6,9-10H2,1-2H3,(H,23,27)/b25-17+.
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxamide?
N-[2-(dimethylamino)ethyl]-3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 53316582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).