N,N-diethyl-4-(oxan-3-ylmethylamino)pyridine-2-carboxamide

C16H25N3O2 — CID 61019704

IUPACN,N-diethyl-4-(oxan-3-ylmethylamino)pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(NCC2CCCOC2)ccn1
InChIInChI=1S/C16H25N3O2/c1-3-19(4-2)16(20)15-10-14(7-8-17-15)18-11-13-6-5-9-21-12-13/h7-8,10,13H,3-6,9,11-12H2,1-2H3,(H,17,18)
InChIKeyIOELEGJOYRKVRG-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.40
Rot. Bonds6

About N,N-diethyl-4-(oxan-3-ylmethylamino)pyridine-2-carboxamide

N,N-diethyl-4-(oxan-3-ylmethylamino)pyridine-2-carboxamide (PubChem CID 61019704) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N,N-diethyl-4-(oxan-3-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-(oxan-3-ylmethylamino)pyridine-2-carboxamide
PubChem CID61019704
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN,N-diethyl-4-(oxan-3-ylmethylamino)pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(NCC2CCCOC2)ccn1
InChIInChI=1S/C16H25N3O2/c1-3-19(4-2)16(20)15-10-14(7-8-17-15)18-11-13-6-5-9-21-12-13/h7-8,10,13H,3-6,9,11-12H2,1-2H3,(H,17,18)
InChIKeyIOELEGJOYRKVRG-UHFFFAOYSA-N
XLogP2.40
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopentylmethylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43517479
N-ethyl-4-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 62179440
N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
N-(cyclopropylmethyl)-N-ethyl-4-(propylamino)pyridine-2-carboxamide
CID 63939735
N-ethyl-4-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 62179439
4-[(3-hydroxycyclohexyl)methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 103703448
N,N-diethyl-4-[(2-methylcyclohexyl)amino]pyridine-2-carboxamide
CID 43395278
N,N-diethyl-4-(2,2,2-trifluoroethylamino)pyridine-2-carboxamide
CID 43517418
N,N-diethyl-4-(2-methylbutylamino)pyridine-2-carboxamide
CID 62693747
N,N-diethyl-4-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide
CID 43395286
2-N,2-N-diethyl-5-N-(oxan-3-ylmethyl)pyridine-2,5-diamine
CID 55242219
N-ethyl-2-[4-(oxan-3-ylmethylamino)phenyl]acetamide
CID 63741623

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(oxan-3-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N,N-diethyl-4-(oxan-3-ylmethylamino)pyridine-2-carboxamide (CID 61019704) is N,N-diethyl-4-(oxan-3-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N,N-diethyl-4-(oxan-3-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N,N-diethyl-4-(oxan-3-ylmethylamino)pyridine-2-carboxamide is CCN(CC)C(=O)c1cc(NCC2CCCOC2)ccn1.
What is the InChIKey of N,N-diethyl-4-(oxan-3-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is IOELEGJOYRKVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-19(4-2)16(20)15-10-14(7-8-17-15)18-11-13-6-5-9-21-12-13/h7-8,10,13H,3-6,9,11-12H2,1-2H3,(H,17,18).
What are the key properties of N,N-diethyl-4-(oxan-3-ylmethylamino)pyridine-2-carboxamide?
N,N-diethyl-4-(oxan-3-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(oxan-3-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 61019704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).