N,N-dimethyl-6-[[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]amino]pyridine-2-carboxamide

C18H27N3O3 — CID 91782561

IUPACN,N-dimethyl-6-[[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]amino]pyridine-2-carboxamide
SMILESCC(C)=CCO[C@H]1CCOC[C@H]1Nc1cccc(C(=O)N(C)C)n1
InChIInChI=1S/C18H27N3O3/c1-13(2)8-11-24-16-9-10-23-12-15(16)20-17-7-5-6-14(19-17)18(22)21(3)4/h5-8,15-16H,9-12H2,1-4H3,(H,19,20)/t15-,16+/m1/s1
InChIKeySFPDYIRGPHIMJQ-CVEARBPZSA-N
MW333.43 g/mol
LogP2.34
Rot. Bonds6

About N,N-dimethyl-6-[[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]amino]pyridine-2-carboxamide

N,N-dimethyl-6-[[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]amino]pyridine-2-carboxamide (PubChem CID 91782561) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N,N-dimethyl-6-[[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]amino]pyridine-2-carboxamide
PubChem CID91782561
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN,N-dimethyl-6-[[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]amino]pyridine-2-carboxamide
SMILESCC(C)=CCO[C@H]1CCOC[C@H]1Nc1cccc(C(=O)N(C)C)n1
InChIInChI=1S/C18H27N3O3/c1-13(2)8-11-24-16-9-10-23-12-15(16)20-17-7-5-6-14(19-17)18(22)21(3)4/h5-8,15-16H,9-12H2,1-4H3,(H,19,20)/t15-,16+/m1/s1
InChIKeySFPDYIRGPHIMJQ-CVEARBPZSA-N
XLogP2.34
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-6-[[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]amino]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-[(dimethylamino)methyl]-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]benzamide
CID 91786755
N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]isoquinoline-5-carboxamide
CID 91777302
N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-1,3-thiazole-4-carboxamide
CID 91774050
4-(hydroxymethyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]pyridine-2-carboxamide
CID 91787921
2-amino-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-4-phenylpyrimidine-5-carboxamide
CID 90647424
N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 91793058
2-(1,3-benzodioxol-5-yl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide
CID 91770717
2-cyclopropyl-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]pyrimidine-5-carboxamide
CID 91770487
2-[(3R,4S)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxan-4-yl]oxyethanol
CID 91781448
N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 91769067
2-methyl-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]-1,3-benzoxazole-6-carboxamide
CID 133267850
7-methyl-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 133268819

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]amino]pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-6-[[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]amino]pyridine-2-carboxamide (CID 91782561) is N,N-dimethyl-6-[[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]amino]pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]amino]pyridine-2-carboxamide is CC(C)=CCO[C@H]1CCOC[C@H]1Nc1cccc(C(=O)N(C)C)n1.
What is the InChIKey of N,N-dimethyl-6-[[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]amino]pyridine-2-carboxamide?
The InChIKey is SFPDYIRGPHIMJQ-CVEARBPZSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13(2)8-11-24-16-9-10-23-12-15(16)20-17-7-5-6-14(19-17)18(22)21(3)4/h5-8,15-16H,9-12H2,1-4H3,(H,19,20)/t15-,16+/m1/s1.
What are the key properties of N,N-dimethyl-6-[[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]amino]pyridine-2-carboxamide?
N,N-dimethyl-6-[[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]amino]pyridine-2-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 91782561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).