N-[3-(pyridin-2-ylamino)propyl]morpholine-3-carboxamide

C13H20N4O2 — CID 119854546

IUPACN-[3-(pyridin-2-ylamino)propyl]morpholine-3-carboxamide
SMILESO=C(NCCCNc1ccccn1)C1COCCN1
InChIInChI=1S/C13H20N4O2/c18-13(11-10-19-9-8-14-11)17-7-3-6-16-12-4-1-2-5-15-12/h1-2,4-5,11,14H,3,6-10H2,(H,15,16)(H,17,18)
InChIKeyDZAYLWNVXVKZKJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.01
Rot. Bonds6

About N-[3-(pyridin-2-ylamino)propyl]morpholine-3-carboxamide

N-[3-(pyridin-2-ylamino)propyl]morpholine-3-carboxamide (PubChem CID 119854546) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[3-(pyridin-2-ylamino)propyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(pyridin-2-ylamino)propyl]morpholine-3-carboxamide
PubChem CID119854546
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[3-(pyridin-2-ylamino)propyl]morpholine-3-carboxamide
SMILESO=C(NCCCNc1ccccn1)C1COCCN1
InChIInChI=1S/C13H20N4O2/c18-13(11-10-19-9-8-14-11)17-7-3-6-16-12-4-1-2-5-15-12/h1-2,4-5,11,14H,3,6-10H2,(H,15,16)(H,17,18)
InChIKeyDZAYLWNVXVKZKJ-UHFFFAOYSA-N
XLogP-0.01
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(pyridin-2-ylamino)propyl]morpholine-3-carboxamide?
The IUPAC name of N-[3-(pyridin-2-ylamino)propyl]morpholine-3-carboxamide (CID 119854546) is N-[3-(pyridin-2-ylamino)propyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[3-(pyridin-2-ylamino)propyl]morpholine-3-carboxamide?
The canonical SMILES for N-[3-(pyridin-2-ylamino)propyl]morpholine-3-carboxamide is O=C(NCCCNc1ccccn1)C1COCCN1.
What is the InChIKey of N-[3-(pyridin-2-ylamino)propyl]morpholine-3-carboxamide?
The InChIKey is DZAYLWNVXVKZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c18-13(11-10-19-9-8-14-11)17-7-3-6-16-12-4-1-2-5-15-12/h1-2,4-5,11,14H,3,6-10H2,(H,15,16)(H,17,18).
What are the key properties of N-[3-(pyridin-2-ylamino)propyl]morpholine-3-carboxamide?
N-[3-(pyridin-2-ylamino)propyl]morpholine-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of -0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyridin-2-ylamino)propyl]morpholine-3-carboxamide is sourced from PubChem (CID 119854546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).