N-[(5-isocyano-2-pyridinyl)methyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine

C15H14N4O — CID 168750262

IUPACN-[(5-isocyano-2-pyridinyl)methyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine
SMILES[C-]#[N+]c1ccc(CNC2CCOc3cccnc32)nc1
InChIInChI=1S/C15H14N4O/c1-16-11-4-5-12(18-9-11)10-19-13-6-8-20-14-3-2-7-17-15(13)14/h2-5,7,9,13,19H,6,8,10H2
InChIKeyYUBYEFYBUBBFKZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.64
Rot. Bonds3

About N-[(5-isocyano-2-pyridinyl)methyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine

N-[(5-isocyano-2-pyridinyl)methyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine (PubChem CID 168750262) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[(5-isocyano-2-pyridinyl)methyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine.

Molecular Properties

Compound NameN-[(5-isocyano-2-pyridinyl)methyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine
PubChem CID168750262
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-[(5-isocyano-2-pyridinyl)methyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine
SMILES[C-]#[N+]c1ccc(CNC2CCOc3cccnc32)nc1
InChIInChI=1S/C15H14N4O/c1-16-11-4-5-12(18-9-11)10-19-13-6-8-20-14-3-2-7-17-15(13)14/h2-5,7,9,13,19H,6,8,10H2
InChIKeyYUBYEFYBUBBFKZ-UHFFFAOYSA-N
XLogP2.64
TPSA51.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-[(5-isocyano-2-pyridinyl)methyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine with MolForge

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Related Compounds

4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)butylcarbamic acid
CID 154115939
N-[[5-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]pyrazin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 74539206
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-3-methylbutanamide
CID 176873000
(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;N-[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]acetamide
CID 161064892
N-[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-4-methylbenzamide
CID 144570152
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)quinoxaline-2-carboxamide
CID 144569816
6-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)pyridine-3-carboxylic acid
CID 144569763
6-chloro-7-methyl-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461686
3-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]pyridine-2-carbonitrile
CID 62894751
5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-pyrrole-2-carboxylic acid
CID 144569932
N-[(5-methylpyrazin-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079632
N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 62760281

Frequently Asked Questions

What is the IUPAC name of N-[(5-isocyano-2-pyridinyl)methyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine?
The IUPAC name of N-[(5-isocyano-2-pyridinyl)methyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine (CID 168750262) is N-[(5-isocyano-2-pyridinyl)methyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine.
What is the SMILES notation for N-[(5-isocyano-2-pyridinyl)methyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine?
The canonical SMILES for N-[(5-isocyano-2-pyridinyl)methyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine is [C-]#[N+]c1ccc(CNC2CCOc3cccnc32)nc1.
What is the InChIKey of N-[(5-isocyano-2-pyridinyl)methyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine?
The InChIKey is YUBYEFYBUBBFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-16-11-4-5-12(18-9-11)10-19-13-6-8-20-14-3-2-7-17-15(13)14/h2-5,7,9,13,19H,6,8,10H2.
What are the key properties of N-[(5-isocyano-2-pyridinyl)methyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine?
N-[(5-isocyano-2-pyridinyl)methyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine has a molecular weight of 266.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-isocyano-2-pyridinyl)methyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine is sourced from PubChem (CID 168750262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).