N-(3-formamido-2-methyl-1,2-dihydropyridin-5-yl)-2-morpholin-4-ylacetamide

C13H20N4O3 — CID 164548079

IUPACN-(3-formamido-2-methyl-1,2-dihydropyridin-5-yl)-2-morpholin-4-ylacetamide
SMILESCC1NC=C(NC(=O)CN2CCOCC2)C=C1NC=O
InChIInChI=1S/C13H20N4O3/c1-10-12(15-9-18)6-11(7-14-10)16-13(19)8-17-2-4-20-5-3-17/h6-7,9-10,14H,2-5,8H2,1H3,(H,15,18)(H,16,19)
InChIKeySMQDCNNBBBWPOS-UHFFFAOYSA-N
MW280.33 g/mol
LogP-1.10
Rot. Bonds5

About N-(3-formamido-2-methyl-1,2-dihydropyridin-5-yl)-2-morpholin-4-ylacetamide

N-(3-formamido-2-methyl-1,2-dihydropyridin-5-yl)-2-morpholin-4-ylacetamide (PubChem CID 164548079) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(3-formamido-2-methyl-1,2-dihydropyridin-5-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(3-formamido-2-methyl-1,2-dihydropyridin-5-yl)-2-morpholin-4-ylacetamide
PubChem CID164548079
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-(3-formamido-2-methyl-1,2-dihydropyridin-5-yl)-2-morpholin-4-ylacetamide
SMILESCC1NC=C(NC(=O)CN2CCOCC2)C=C1NC=O
InChIInChI=1S/C13H20N4O3/c1-10-12(15-9-18)6-11(7-14-10)16-13(19)8-17-2-4-20-5-3-17/h6-7,9-10,14H,2-5,8H2,1H3,(H,15,18)(H,16,19)
InChIKeySMQDCNNBBBWPOS-UHFFFAOYSA-N
XLogP-1.10
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-formamido-2-methyl-1,2-dihydropyridin-5-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(3-formamido-2-methyl-1,2-dihydropyridin-5-yl)-2-morpholin-4-ylacetamide (CID 164548079) is N-(3-formamido-2-methyl-1,2-dihydropyridin-5-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(3-formamido-2-methyl-1,2-dihydropyridin-5-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(3-formamido-2-methyl-1,2-dihydropyridin-5-yl)-2-morpholin-4-ylacetamide is CC1NC=C(NC(=O)CN2CCOCC2)C=C1NC=O.
What is the InChIKey of N-(3-formamido-2-methyl-1,2-dihydropyridin-5-yl)-2-morpholin-4-ylacetamide?
The InChIKey is SMQDCNNBBBWPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-10-12(15-9-18)6-11(7-14-10)16-13(19)8-17-2-4-20-5-3-17/h6-7,9-10,14H,2-5,8H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-(3-formamido-2-methyl-1,2-dihydropyridin-5-yl)-2-morpholin-4-ylacetamide?
N-(3-formamido-2-methyl-1,2-dihydropyridin-5-yl)-2-morpholin-4-ylacetamide has a molecular weight of 280.33 g/mol, XLogP of -1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formamido-2-methyl-1,2-dihydropyridin-5-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 164548079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).