N-[3-[(5-methyl-2-pyridinyl)amino]propyl]oxolane-3-carboxamide

C14H21N3O2 — CID 131922621

IUPACN-[3-[(5-methyl-2-pyridinyl)amino]propyl]oxolane-3-carboxamide
SMILESCc1ccc(NCCCNC(=O)C2CCOC2)nc1
InChIInChI=1S/C14H21N3O2/c1-11-3-4-13(17-9-11)15-6-2-7-16-14(18)12-5-8-19-10-12/h3-4,9,12H,2,5-8,10H2,1H3,(H,15,17)(H,16,18)
InChIKeyRHEVPPYYCVUDHO-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.34
Rot. Bonds6

About N-[3-[(5-methyl-2-pyridinyl)amino]propyl]oxolane-3-carboxamide

N-[3-[(5-methyl-2-pyridinyl)amino]propyl]oxolane-3-carboxamide (PubChem CID 131922621) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[3-[(5-methyl-2-pyridinyl)amino]propyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(5-methyl-2-pyridinyl)amino]propyl]oxolane-3-carboxamide
PubChem CID131922621
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[3-[(5-methyl-2-pyridinyl)amino]propyl]oxolane-3-carboxamide
SMILESCc1ccc(NCCCNC(=O)C2CCOC2)nc1
InChIInChI=1S/C14H21N3O2/c1-11-3-4-13(17-9-11)15-6-2-7-16-14(18)12-5-8-19-10-12/h3-4,9,12H,2,5-8,10H2,1H3,(H,15,17)(H,16,18)
InChIKeyRHEVPPYYCVUDHO-UHFFFAOYSA-N
XLogP1.34
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrrolidine-3-carboxamide
CID 119888082
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119888081
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-[(3R)-oxan-3-yl]acetamide
CID 124626187
(3S)-6-methoxy-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 99816809
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride
CID 154911752
N-[3-[(5-amino-2-pyridinyl)amino]propyl]cyclopropanecarboxamide
CID 82331101
(2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 97033170
1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]urea
CID 51957688
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-morpholin-4-ylcyclopentane-1-carboxamide
CID 86778769
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-morpholin-4-ylbenzamide
CID 91791359
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]acetamide;dihydrochloride
CID 119888049
2-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide
CID 119888018

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-methyl-2-pyridinyl)amino]propyl]oxolane-3-carboxamide?
The IUPAC name of N-[3-[(5-methyl-2-pyridinyl)amino]propyl]oxolane-3-carboxamide (CID 131922621) is N-[3-[(5-methyl-2-pyridinyl)amino]propyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[3-[(5-methyl-2-pyridinyl)amino]propyl]oxolane-3-carboxamide?
The canonical SMILES for N-[3-[(5-methyl-2-pyridinyl)amino]propyl]oxolane-3-carboxamide is Cc1ccc(NCCCNC(=O)C2CCOC2)nc1.
What is the InChIKey of N-[3-[(5-methyl-2-pyridinyl)amino]propyl]oxolane-3-carboxamide?
The InChIKey is RHEVPPYYCVUDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-3-4-13(17-9-11)15-6-2-7-16-14(18)12-5-8-19-10-12/h3-4,9,12H,2,5-8,10H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[3-[(5-methyl-2-pyridinyl)amino]propyl]oxolane-3-carboxamide?
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]oxolane-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-methyl-2-pyridinyl)amino]propyl]oxolane-3-carboxamide is sourced from PubChem (CID 131922621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).