N-[6-[(Z)-N'-hydroxycarbamimidoyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]-2-methylpyridine-4-carboxamide

C15H15N5O3 — CID 139331064

IUPACN-[6-[(Z)-N'-hydroxycarbamimidoyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2COc3cc(/C(N)=N/O)cnc32)ccn1
InChIInChI=1S/C15H15N5O3/c1-8-4-9(2-3-17-8)15(21)19-11-7-23-12-5-10(14(16)20-22)6-18-13(11)12/h2-6,11,22H,7H2,1H3,(H2,16,20)(H,19,21)
InChIKeyRYXFIZZDLTTXON-UHFFFAOYSA-N
MW313.32 g/mol
LogP0.74
Rot. Bonds3

About N-[6-[(Z)-N'-hydroxycarbamimidoyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]-2-methylpyridine-4-carboxamide

N-[6-[(Z)-N'-hydroxycarbamimidoyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]-2-methylpyridine-4-carboxamide (PubChem CID 139331064) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is N-[6-[(Z)-N'-hydroxycarbamimidoyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[(Z)-N'-hydroxycarbamimidoyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]-2-methylpyridine-4-carboxamide
PubChem CID139331064
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC NameN-[6-[(Z)-N'-hydroxycarbamimidoyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2COc3cc(/C(N)=N/O)cnc32)ccn1
InChIInChI=1S/C15H15N5O3/c1-8-4-9(2-3-17-8)15(21)19-11-7-23-12-5-10(14(16)20-22)6-18-13(11)12/h2-6,11,22H,7H2,1H3,(H2,16,20)(H,19,21)
InChIKeyRYXFIZZDLTTXON-UHFFFAOYSA-N
XLogP0.74
TPSA122.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(6-bromo-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;N-(6-isocyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;methane
CID 159293206
2-methyl-N-(oxetan-3-yl)pyridine-4-carboxamide
CID 106753340
2-methyl-N-(oxolan-3-yl)pyridine-4-carboxamide
CID 139360784
N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-2-methylpyridine-4-carboxamide
CID 136771415
N-[5-chloro-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylpyridine-4-carboxamide
CID 106753963
N-[1-[(Z)-N'-hydroxycarbamimidoyl]cycloheptyl]-2-methylpyridine-4-carboxamide
CID 106753929
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpyridine-4-carboxamide
CID 106753486
N,2-dimethylpyridine-4-carboxamide;ethane
CID 143416894
dichloromethane;2-methylpyridine-4-carbohydrazide
CID 157362616
2-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)pyridine-4-carboxamide
CID 166234579
methane;2-methyl-N-[(1R)-5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide;2-methyl-N-[5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
CID 162024552
N'-amino-2-methylpyridine-4-carboximidamide
CID 106754085

Frequently Asked Questions

What is the IUPAC name of N-[6-[(Z)-N'-hydroxycarbamimidoyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[6-[(Z)-N'-hydroxycarbamimidoyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]-2-methylpyridine-4-carboxamide (CID 139331064) is N-[6-[(Z)-N'-hydroxycarbamimidoyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[6-[(Z)-N'-hydroxycarbamimidoyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[6-[(Z)-N'-hydroxycarbamimidoyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)NC2COc3cc(/C(N)=N/O)cnc32)ccn1.
What is the InChIKey of N-[6-[(Z)-N'-hydroxycarbamimidoyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]-2-methylpyridine-4-carboxamide?
The InChIKey is RYXFIZZDLTTXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-8-4-9(2-3-17-8)15(21)19-11-7-23-12-5-10(14(16)20-22)6-18-13(11)12/h2-6,11,22H,7H2,1H3,(H2,16,20)(H,19,21).
What are the key properties of N-[6-[(Z)-N'-hydroxycarbamimidoyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]-2-methylpyridine-4-carboxamide?
N-[6-[(Z)-N'-hydroxycarbamimidoyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]-2-methylpyridine-4-carboxamide has a molecular weight of 313.32 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(Z)-N'-hydroxycarbamimidoyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 139331064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).