4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)butylcarbamic acid

C13H19N3O3 — CID 154115939

IUPAC4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)butylcarbamic acid
SMILESO=C(O)NCCCCNC1CCOc2cccnc21
InChIInChI=1S/C13H19N3O3/c17-13(18)16-7-2-1-6-14-10-5-9-19-11-4-3-8-15-12(10)11/h3-4,8,10,14,16H,1-2,5-7,9H2,(H,17,18)
InChIKeySJXCTARUTHWAKM-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.54
Rot. Bonds6

About 4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)butylcarbamic acid

4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)butylcarbamic acid (PubChem CID 154115939) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)butylcarbamic acid.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)butylcarbamic acid
PubChem CID154115939
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)butylcarbamic acid
SMILESO=C(O)NCCCCNC1CCOc2cccnc21
InChIInChI=1S/C13H19N3O3/c17-13(18)16-7-2-1-6-14-10-5-9-19-11-4-3-8-15-12(10)11/h3-4,8,10,14,16H,1-2,5-7,9H2,(H,17,18)
InChIKeySJXCTARUTHWAKM-UHFFFAOYSA-N
XLogP1.54
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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)-3-methylbutanamide
CID 176873000
2-[[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-methylamino]acetic acid
CID 129372460
5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-pyrrole-2-carboxylic acid
CID 144569932
(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
6-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)pyridine-3-carboxylic acid
CID 144569763
N-[(5-isocyano-2-pyridinyl)methyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine
CID 168750262
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)quinoxaline-2-carboxamide
CID 144569816
N'-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-phenylpiperazine-1-carbothiohydrazide
CID 145256073
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 144570089
3-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-4-methoxycyclohexane-1-carboxylic acid
CID 123480598
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-5-(methanesulfinamido)pyridine-2-carboxamide
CID 144570083

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)butylcarbamic acid?
The IUPAC name of 4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)butylcarbamic acid (CID 154115939) is 4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)butylcarbamic acid.
What is the SMILES notation for 4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)butylcarbamic acid?
The canonical SMILES for 4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)butylcarbamic acid is O=C(O)NCCCCNC1CCOc2cccnc21.
What is the InChIKey of 4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)butylcarbamic acid?
The InChIKey is SJXCTARUTHWAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-13(18)16-7-2-1-6-14-10-5-9-19-11-4-3-8-15-12(10)11/h3-4,8,10,14,16H,1-2,5-7,9H2,(H,17,18).
What are the key properties of 4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)butylcarbamic acid?
4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)butylcarbamic acid has a molecular weight of 265.31 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)butylcarbamic acid is sourced from PubChem (CID 154115939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).