N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide

C19H21ClF2N4O3 — CID 87426753

IUPACN-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
SMILESCC(C)C(=O)Nc1cc(C(=O)NC(C)c2cnc(OCC(F)F)c(Cl)c2)ccn1
InChIInChI=1S/C19H21ClF2N4O3/c1-10(2)17(27)26-16-7-12(4-5-23-16)18(28)25-11(3)13-6-14(20)19(24-8-13)29-9-15(21)22/h4-8,10-11,15H,9H2,1-3H3,(H,25,28)(H,23,26,27)
InChIKeyONUWVIKOYVNHBH-UHFFFAOYSA-N
MW426.85 g/mol
LogP3.86
Rot. Bonds8

About N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide

N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide (PubChem CID 87426753) has the molecular formula C19H21ClF2N4O3 and a molecular weight of 426.85 g/mol. Its IUPAC name is N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
PubChem CID87426753
Molecular FormulaC19H21ClF2N4O3
Molecular Weight426.85 g/mol
Exact Mass426.13
IUPAC NameN-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
SMILESCC(C)C(=O)Nc1cc(C(=O)NC(C)c2cnc(OCC(F)F)c(Cl)c2)ccn1
InChIInChI=1S/C19H21ClF2N4O3/c1-10(2)17(27)26-16-7-12(4-5-23-16)18(28)25-11(3)13-6-14(20)19(24-8-13)29-9-15(21)22/h4-8,10-11,15H,9H2,1-3H3,(H,25,28)(H,23,26,27)
InChIKeyONUWVIKOYVNHBH-UHFFFAOYSA-N
XLogP3.86
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.85
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-chloro-4-(2,2-difluoroethoxy)-5-methylphenyl]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 87427038
N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 153311479
N-[1-[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 87426798
2-(2-methylpropanoylamino)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 56967013
N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 118065152
2-(2-methylpropanoylamino)-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 87427280
N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide
CID 162566089
N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-[(2-cyclopropylacetyl)amino]-6-methylpyridine-4-carboxamide
CID 87426752
N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 87426669
2-(2-methylpropanoylamino)-N-[1-[6-[2-(2,2,2-trifluoroethoxy)ethoxy]-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67510831
N-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 162566129
2-acetamido-N-[1-[5-(iodomethyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 69087823

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide?
The IUPAC name of N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide (CID 87426753) is N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide is CC(C)C(=O)Nc1cc(C(=O)NC(C)c2cnc(OCC(F)F)c(Cl)c2)ccn1.
What is the InChIKey of N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide?
The InChIKey is ONUWVIKOYVNHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF2N4O3/c1-10(2)17(27)26-16-7-12(4-5-23-16)18(28)25-11(3)13-6-14(20)19(24-8-13)29-9-15(21)22/h4-8,10-11,15H,9H2,1-3H3,(H,25,28)(H,23,26,27).
What are the key properties of N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide?
N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide has a molecular weight of 426.85 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide is sourced from PubChem (CID 87426753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).