N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-4-carboxamide

C13H16N4O2 — CID 102821736

IUPACN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-4-carboxamide
SMILESNCC#Cc1ccnc(NC(=O)N2CCOCC2)c1
InChIInChI=1S/C13H16N4O2/c14-4-1-2-11-3-5-15-12(10-11)16-13(18)17-6-8-19-9-7-17/h3,5,10H,4,6-9,14H2,(H,15,16,18)
InChIKeyALLMRMWKUKGLPO-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.26
Rot. Bonds1

About N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-4-carboxamide

N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-4-carboxamide (PubChem CID 102821736) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-4-carboxamide
PubChem CID102821736
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-4-carboxamide
SMILESNCC#Cc1ccnc(NC(=O)N2CCOCC2)c1
InChIInChI=1S/C13H16N4O2/c14-4-1-2-11-3-5-15-12(10-11)16-13(18)17-6-8-19-9-7-17/h3,5,10H,4,6-9,14H2,(H,15,16,18)
InChIKeyALLMRMWKUKGLPO-UHFFFAOYSA-N
XLogP0.26
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methylpiperidine-1-carboxamide
CID 102821734
N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]morpholine-4-carboxamide
CID 79151985
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 102821340
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-phenylacetamide
CID 102821435
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridazine-4-carboxamide
CID 102821396
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]morpholine-4-carboxamide
CID 79153035
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,6-dihydroxybenzamide
CID 107690785
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-pyrazol-1-ylpropanamide
CID 102821357
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-cyclopropylpropanamide
CID 102821519
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]octanamide
CID 102821254
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3,4-dimethylbenzamide
CID 102821474
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 102821364

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-4-carboxamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-4-carboxamide (CID 102821736) is N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-4-carboxamide is NCC#Cc1ccnc(NC(=O)N2CCOCC2)c1.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-4-carboxamide?
The InChIKey is ALLMRMWKUKGLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-4-1-2-11-3-5-15-12(10-11)16-13(18)17-6-8-19-9-7-17/h3,5,10H,4,6-9,14H2,(H,15,16,18).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-4-carboxamide?
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-4-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-4-carboxamide is sourced from PubChem (CID 102821736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).