N-[[4-[3-(dimethylamino)propoxymethyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]formamide

C14H23N3O3 — CID 130460115

IUPACN-[[4-[3-(dimethylamino)propoxymethyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]formamide
SMILESCc1cc(COCCCN(C)C)c(CNC=O)c(=O)[nH]1
InChIInChI=1S/C14H23N3O3/c1-11-7-12(9-20-6-4-5-17(2)3)13(8-15-10-18)14(19)16-11/h7,10H,4-6,8-9H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyUJIRZWLDMFZMQD-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.40
Rot. Bonds9

About N-[[4-[3-(dimethylamino)propoxymethyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]formamide

N-[[4-[3-(dimethylamino)propoxymethyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]formamide (PubChem CID 130460115) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[[4-[3-(dimethylamino)propoxymethyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[4-[3-(dimethylamino)propoxymethyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]formamide
PubChem CID130460115
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-[[4-[3-(dimethylamino)propoxymethyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]formamide
SMILESCc1cc(COCCCN(C)C)c(CNC=O)c(=O)[nH]1
InChIInChI=1S/C14H23N3O3/c1-11-7-12(9-20-6-4-5-17(2)3)13(8-15-10-18)14(19)16-11/h7,10H,4-6,8-9H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyUJIRZWLDMFZMQD-UHFFFAOYSA-N
XLogP0.40
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 3-(aminomethyl)-1,6-dimethyl-2-oxopyridine-4-carboxylate;hydrochloride
CID 24192360
2-hydroxy-N-(3-methoxy-2,2-dimethylpropyl)-4,6-dimethylnicotinamide
CID 56716171
Pyridine-3-carboxamide, 1,2-dihydro-4-methoxymethyl-6-methyl-2-oxo-
CID 590433
3-(aminomethyl)-4-(methoxymethyl)-6-methyl-2(1H)-Pyridinone
CID 55255763
2-Methyl-4-methylamino-6-oxo-1-propyl-1,6-dihydro-pyridine-3-carboxylic acid ethyl ester
CID 67234223
3-(aminomethyl)-4-(methoxymethyl)-6-methyl-1H-pyridin-2-one;hydrochloride
CID 121440145
N-[[4-[2-(dimethylamino)ethoxymethyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]formamide
CID 130460161
4-(ethoxymethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 153802685
Ethyl 6-oxo-1-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxylate
CID 169657011
methyl 3-(acetamidomethyl)-6-methyl-2-oxo-1H-pyridine-4-carboxylate
CID 282009
methyl 3-(aminomethyl)-6-methyl-2-oxo-1H-pyridine-4-carboxylate
CID 421472
Methyl 3-(aminomethyl)-1,6-dimethyl-2-oxopyridine-4-carboxylate
CID 421759

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(dimethylamino)propoxymethyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]formamide?
The IUPAC name of N-[[4-[3-(dimethylamino)propoxymethyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]formamide (CID 130460115) is N-[[4-[3-(dimethylamino)propoxymethyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]formamide.
What is the SMILES notation for N-[[4-[3-(dimethylamino)propoxymethyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]formamide?
The canonical SMILES for N-[[4-[3-(dimethylamino)propoxymethyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]formamide is Cc1cc(COCCCN(C)C)c(CNC=O)c(=O)[nH]1.
What is the InChIKey of N-[[4-[3-(dimethylamino)propoxymethyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]formamide?
The InChIKey is UJIRZWLDMFZMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-11-7-12(9-20-6-4-5-17(2)3)13(8-15-10-18)14(19)16-11/h7,10H,4-6,8-9H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of N-[[4-[3-(dimethylamino)propoxymethyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]formamide?
N-[[4-[3-(dimethylamino)propoxymethyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]formamide has a molecular weight of 281.36 g/mol, XLogP of 0.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(dimethylamino)propoxymethyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]formamide is sourced from PubChem (CID 130460115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).