N-[1-[1-(1H-imidazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]-N-methylmorpholine-4-carboxamide

C18H29N5O2 — CID 56717101

IUPACN-[1-[1-(1H-imidazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]-N-methylmorpholine-4-carboxamide
SMILESCCC(C1=CCCN(Cc2cnc[nH]2)C1)N(C)C(=O)N1CCOCC1
InChIInChI=1S/C18H29N5O2/c1-3-17(21(2)18(24)23-7-9-25-10-8-23)15-5-4-6-22(12-15)13-16-11-19-14-20-16/h5,11,14,17H,3-4,6-10,12-13H2,1-2H3,(H,19,20)
InChIKeyASHMTENUBJNHNC-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.70
Rot. Bonds5

About N-[1-[1-(1H-imidazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]-N-methylmorpholine-4-carboxamide

N-[1-[1-(1H-imidazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]-N-methylmorpholine-4-carboxamide (PubChem CID 56717101) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[1-[1-(1H-imidazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]-N-methylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(1H-imidazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]-N-methylmorpholine-4-carboxamide
PubChem CID56717101
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-[1-[1-(1H-imidazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]-N-methylmorpholine-4-carboxamide
SMILESCCC(C1=CCCN(Cc2cnc[nH]2)C1)N(C)C(=O)N1CCOCC1
InChIInChI=1S/C18H29N5O2/c1-3-17(21(2)18(24)23-7-9-25-10-8-23)15-5-4-6-22(12-15)13-16-11-19-14-20-16/h5,11,14,17H,3-4,6-10,12-13H2,1-2H3,(H,19,20)
InChIKeyASHMTENUBJNHNC-UHFFFAOYSA-N
XLogP1.70
TPSA64.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(1H-imidazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]-N-methylmorpholine-4-carboxamide?
The IUPAC name of N-[1-[1-(1H-imidazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]-N-methylmorpholine-4-carboxamide (CID 56717101) is N-[1-[1-(1H-imidazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]-N-methylmorpholine-4-carboxamide.
What is the SMILES notation for N-[1-[1-(1H-imidazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]-N-methylmorpholine-4-carboxamide?
The canonical SMILES for N-[1-[1-(1H-imidazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]-N-methylmorpholine-4-carboxamide is CCC(C1=CCCN(Cc2cnc[nH]2)C1)N(C)C(=O)N1CCOCC1.
What is the InChIKey of N-[1-[1-(1H-imidazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]-N-methylmorpholine-4-carboxamide?
The InChIKey is ASHMTENUBJNHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-3-17(21(2)18(24)23-7-9-25-10-8-23)15-5-4-6-22(12-15)13-16-11-19-14-20-16/h5,11,14,17H,3-4,6-10,12-13H2,1-2H3,(H,19,20).
What are the key properties of N-[1-[1-(1H-imidazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]-N-methylmorpholine-4-carboxamide?
N-[1-[1-(1H-imidazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]-N-methylmorpholine-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(1H-imidazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]-N-methylmorpholine-4-carboxamide is sourced from PubChem (CID 56717101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).