5-(2,2-difluoropropoxy)-4-methyl-N-[1-[2-(methylamino)-4-pyridinyl]ethyl]pyridine-2-carboxamide

C18H22F2N4O2 — CID 138702935

IUPAC5-(2,2-difluoropropoxy)-4-methyl-N-[1-[2-(methylamino)-4-pyridinyl]ethyl]pyridine-2-carboxamide
SMILESCNc1cc(C(C)NC(=O)c2cc(C)c(OCC(C)(F)F)cn2)ccn1
InChIInChI=1S/C18H22F2N4O2/c1-11-7-14(23-9-15(11)26-10-18(3,19)20)17(25)24-12(2)13-5-6-22-16(8-13)21-4/h5-9,12H,10H2,1-4H3,(H,21,22)(H,24,25)
InChIKeyYMMVIXQQGRFADC-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.35
Rot. Bonds7

About 5-(2,2-difluoropropoxy)-4-methyl-N-[1-[2-(methylamino)-4-pyridinyl]ethyl]pyridine-2-carboxamide

5-(2,2-difluoropropoxy)-4-methyl-N-[1-[2-(methylamino)-4-pyridinyl]ethyl]pyridine-2-carboxamide (PubChem CID 138702935) has the molecular formula C18H22F2N4O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is 5-(2,2-difluoropropoxy)-4-methyl-N-[1-[2-(methylamino)-4-pyridinyl]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2,2-difluoropropoxy)-4-methyl-N-[1-[2-(methylamino)-4-pyridinyl]ethyl]pyridine-2-carboxamide
PubChem CID138702935
Molecular FormulaC18H22F2N4O2
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Name5-(2,2-difluoropropoxy)-4-methyl-N-[1-[2-(methylamino)-4-pyridinyl]ethyl]pyridine-2-carboxamide
SMILESCNc1cc(C(C)NC(=O)c2cc(C)c(OCC(C)(F)F)cn2)ccn1
InChIInChI=1S/C18H22F2N4O2/c1-11-7-14(23-9-15(11)26-10-18(3,19)20)17(25)24-12(2)13-5-6-22-16(8-13)21-4/h5-9,12H,10H2,1-4H3,(H,21,22)(H,24,25)
InChIKeyYMMVIXQQGRFADC-UHFFFAOYSA-N
XLogP3.35
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,2-difluoropropoxy)-3-methyl-N-[1-[2-(2-oxopropyl)-4-pyridinyl]ethyl]benzamide
CID 159254658
3-chloro-4-(2,2-difluoropropoxy)-N-[1-[2-(3-methyl-2-oxobutyl)-4-pyridinyl]ethyl]benzamide
CID 157494045
N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methylpyridine-4-carboxamide
CID 174687500
N,4-dimethyl-5-(2,2,2-trifluoroethoxy)pyridin-2-amine
CID 151815999
N,4-dimethyl-5-(2,2,2-trifluoroethoxy)pyridin-2-amine;hydrochloride
CID 175018147
N-[1-(2-amino-4-pyridinyl)ethyl]-6-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
CID 162573502
N-[1-[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]ethyl]-6-methyl-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 149459671
N-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 151123049
2-(ethylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 151094917
5-(methylamino)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide
CID 136554877
N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 67509480
2-(3-methyl-2-oxobutyl)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 159341282

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoropropoxy)-4-methyl-N-[1-[2-(methylamino)-4-pyridinyl]ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-(2,2-difluoropropoxy)-4-methyl-N-[1-[2-(methylamino)-4-pyridinyl]ethyl]pyridine-2-carboxamide (CID 138702935) is 5-(2,2-difluoropropoxy)-4-methyl-N-[1-[2-(methylamino)-4-pyridinyl]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(2,2-difluoropropoxy)-4-methyl-N-[1-[2-(methylamino)-4-pyridinyl]ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(2,2-difluoropropoxy)-4-methyl-N-[1-[2-(methylamino)-4-pyridinyl]ethyl]pyridine-2-carboxamide is CNc1cc(C(C)NC(=O)c2cc(C)c(OCC(C)(F)F)cn2)ccn1.
What is the InChIKey of 5-(2,2-difluoropropoxy)-4-methyl-N-[1-[2-(methylamino)-4-pyridinyl]ethyl]pyridine-2-carboxamide?
The InChIKey is YMMVIXQQGRFADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O2/c1-11-7-14(23-9-15(11)26-10-18(3,19)20)17(25)24-12(2)13-5-6-22-16(8-13)21-4/h5-9,12H,10H2,1-4H3,(H,21,22)(H,24,25).
What are the key properties of 5-(2,2-difluoropropoxy)-4-methyl-N-[1-[2-(methylamino)-4-pyridinyl]ethyl]pyridine-2-carboxamide?
5-(2,2-difluoropropoxy)-4-methyl-N-[1-[2-(methylamino)-4-pyridinyl]ethyl]pyridine-2-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoropropoxy)-4-methyl-N-[1-[2-(methylamino)-4-pyridinyl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 138702935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).